N-acetyl-2-methylbutanamide

C7H13NO2 — CID 59565834

IUPACN-acetyl-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-4-5(2)7(10)8-6(3)9/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyUCVULNOFVGDIJK-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.70
Rot. Bonds2

About N-acetyl-2-methylbutanamide

N-acetyl-2-methylbutanamide (PubChem CID 59565834) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-acetyl-2-methylbutanamide.

Molecular Properties

Compound NameN-acetyl-2-methylbutanamide
PubChem CID59565834
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-acetyl-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-4-5(2)7(10)8-6(3)9/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyUCVULNOFVGDIJK-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutanoylcarbamic acid
CID 87928192
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(5S)-5-methylheptane-2,4-dione
CID 59270261
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen
CID 143718494
acetamidomethyl 2-methylbutanoate
CID 134215885
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-methyl-N-methylsulfonylbutanamide
CID 18336288
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-methylbutanamide?
The IUPAC name of N-acetyl-2-methylbutanamide (CID 59565834) is N-acetyl-2-methylbutanamide.
What is the SMILES notation for N-acetyl-2-methylbutanamide?
The canonical SMILES for N-acetyl-2-methylbutanamide is CCC(C)C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-methylbutanamide?
The InChIKey is UCVULNOFVGDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)7(10)8-6(3)9/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of N-acetyl-2-methylbutanamide?
N-acetyl-2-methylbutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-methylbutanamide is sourced from PubChem (CID 59565834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).