2-ethyl-N-methylbutanediamide

C7H14N2O2 — CID 89267144

IUPAC2-ethyl-N-methylbutanediamide
SMILESCCC(CC(N)=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-5(4-6(8)10)7(11)9-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyPXHFAHUWIPQKAK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.37
Rot. Bonds4

About 2-ethyl-N-methylbutanediamide

2-ethyl-N-methylbutanediamide (PubChem CID 89267144) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethyl-N-methylbutanediamide.

Molecular Properties

Compound Name2-ethyl-N-methylbutanediamide
PubChem CID89267144
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-ethyl-N-methylbutanediamide
SMILESCCC(CC(N)=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-5(4-6(8)10)7(11)9-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyPXHFAHUWIPQKAK-UHFFFAOYSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-octadecylbutanediamide
CID 88809525
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
(2R)-2-amino-N-methylbutanamide
CID 14888796
2-ethyl-N-methyltetradecanamide
CID 161072731
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
4-amino-2-(methylaminomethyl)-4-oxobutanoic acid
CID 89475350
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
4-N,1-dimethyl-1-N-[(2-methylbutanoylamino)methyl]nonane-1,4,7-tricarboxamide
CID 122547912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylbutanediamide?
The IUPAC name of 2-ethyl-N-methylbutanediamide (CID 89267144) is 2-ethyl-N-methylbutanediamide.
What is the SMILES notation for 2-ethyl-N-methylbutanediamide?
The canonical SMILES for 2-ethyl-N-methylbutanediamide is CCC(CC(N)=O)C(=O)NC.
What is the InChIKey of 2-ethyl-N-methylbutanediamide?
The InChIKey is PXHFAHUWIPQKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5(4-6(8)10)7(11)9-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-ethyl-N-methylbutanediamide?
2-ethyl-N-methylbutanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylbutanediamide is sourced from PubChem (CID 89267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).