N-methylpentanamide

C6H13NO — CID 22591

IUPACN-methylpentanamide
SMILESCCCCC(=O)NC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyXKEKKGKDCHCOSA-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.92
Rot. Bonds3

About N-methylpentanamide

N-methylpentanamide (PubChem CID 22591) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methylpentanamide.

Molecular Properties

Compound NameN-methylpentanamide
PubChem CID22591
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methylpentanamide
SMILESCCCCC(=O)NC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyXKEKKGKDCHCOSA-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylpropanamide
CID 14470
N-Methylbutanamide
CID 28774
Valeramide, N-hexyl-
CID 82502
Heptanamide, N-methyl-
CID 18838
N-Methylhexanamide
CID 439790
N-Butylpentanamide
CID 137707
N-Ethylvaleramide
CID 521484
N-pentylpentanamide
CID 304130
N1,N5-Dimethylpentanediamide
CID 14291790
Hexanediamide, N,N'-dimethyl-
CID 351691
4-fluoro-N,4-dimethylpentanamide
CID 162409074
N-(Methoxymethyl)pentanamide
CID 12558813

Frequently Asked Questions

What is the IUPAC name of N-methylpentanamide?
The IUPAC name of N-methylpentanamide (CID 22591) is N-methylpentanamide.
What is the SMILES notation for N-methylpentanamide?
The canonical SMILES for N-methylpentanamide is CCCCC(=O)NC.
What is the InChIKey of N-methylpentanamide?
The InChIKey is XKEKKGKDCHCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of N-methylpentanamide?
N-methylpentanamide has a molecular weight of 115.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentanamide is sourced from PubChem (CID 22591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).