2-(hydroxymethyl)-N-methylbutanamide

C6H13NO2 — CID 58973980

IUPAC2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)NC
InChIInChI=1S/C6H13NO2/c1-3-5(4-8)6(9)7-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyIAHMPHLLKNDNBP-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds3

About 2-(hydroxymethyl)-N-methylbutanamide

2-(hydroxymethyl)-N-methylbutanamide (PubChem CID 58973980) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methylbutanamide
PubChem CID58973980
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)NC
InChIInChI=1S/C6H13NO2/c1-3-5(4-8)6(9)7-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyIAHMPHLLKNDNBP-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylbutanediamide
CID 89267144
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
2-ethyl-N-methyltetradecanamide
CID 161072731
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
CID 115186393
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
sodium 2-(hydroxymethyl)butanoate
CID 23711714
(2R)-2-amino-N-methylbutanamide
CID 14888796

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methylbutanamide (CID 58973980) is 2-(hydroxymethyl)-N-methylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methylbutanamide is CCC(CO)C(=O)NC.
What is the InChIKey of 2-(hydroxymethyl)-N-methylbutanamide?
The InChIKey is IAHMPHLLKNDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(4-8)6(9)7-2/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-(hydroxymethyl)-N-methylbutanamide?
2-(hydroxymethyl)-N-methylbutanamide has a molecular weight of 131.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methylbutanamide is sourced from PubChem (CID 58973980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).