Molecular Weight of N-Methylbutanamide (C5H11NO)
Identification of N-Methylbutanamide Chemical Compound
Chemical Formula | C5H11NO |
---|---|
Molecular Weight | 101.14694 g/mol |
IUPAC Name | N-methylbutanamide |
SMILES String | CCCC(=O)NC |
InChI | InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7) |
InChIKey | OLLZXQIFCRIRMH-UHFFFAOYSA-N |
Molecular Weight Description
The N-Methylbutanamide molecule consists of 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 18 atom(s). The molecular weight of N-Methylbutanamide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 101.14694 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-Methylbutanamide Molecule
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Structure Data File (SDF/MOL File) of N-Methylbutanamide
The structure data file (SDF/MOL File) of N-Methylbutanamide is available for download in the SDF page of N-Methylbutanamide, which provides the information on atoms, bonds, connectivity and coordinates of N-Methylbutanamide. The N-Methylbutanamide structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of N-Methylbutanamide
The molecular structure image of N-Methylbutanamide is available in chemical structure page of N-Methylbutanamide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in N-Methylbutanamide and the chemical bonds that hold the atoms together.
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Chemical formula of N-Methylbutanamide
The molecular formula of N-Methylbutanamide is given in chemical formula page of N-Methylbutanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-Methylbutanamide
In addition to the molecular weight information, the structural information of N-Methylbutanamide in a textual expression is available via InChi. The full standard InChI of N-Methylbutanamide is given below:
InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
It can provide a way to encode the molecular information of N-Methylbutanamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-Methylbutanamide is:
InChIKey=OLLZXQIFCRIRMH-UHFFFAOYSA-N
It may allow easier web searches for N-Methylbutanamide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the N-Methylbutanamide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-Methylbutanamide
There may be different names of the N-Methylbutanamide compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- N-methylbutyrylamide
- N-Methylbuttersaureamid
- 17794-44-4
- N-Methylbuttersaureamid [German]
- Butanamide, N-methyl- (9CI)
- Methyl butyric acid amide
- BUTYRAMIDE, N-METHYL-
- Butanamide, N-methyl-
- N-Methylbutyramide
N-Methylbutanamide Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of N-Methylbutanamide? |
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C5H11NO |
How many atoms and what are the elements in the N-Methylbutanamide molecule? |
18 atom(s) - 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the N-Methylbutanamide structure? |
17 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 secondary amide(s) (aliphatic) |
What’s the molar mass of N-Methylbutanamide? |
101.14694 g/mol |
What’s the SMILES format of N-Methylbutanamide? |
CCCC(=O)NC |
What’s the InChI format of N-Methylbutanamide? |
InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7) |
What’s the InChIKey string of N-Methylbutanamide? |
OLLZXQIFCRIRMH-UHFFFAOYSA-N |
667
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).