N-butyl-4-oxopentanamide

C9H17NO2 — CID 12583962

IUPACN-butyl-4-oxopentanamide
SMILESCCCCNC(=O)CCC(C)=O
InChIInChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h3-7H2,1-2H3,(H,10,12)
InChIKeyKYYKFFSWYAVLOC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.27
Rot. Bonds6

About N-butyl-4-oxopentanamide

N-butyl-4-oxopentanamide (PubChem CID 12583962) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butyl-4-oxopentanamide.

Molecular Properties

Compound NameN-butyl-4-oxopentanamide
PubChem CID12583962
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butyl-4-oxopentanamide
SMILESCCCCNC(=O)CCC(C)=O
InChIInChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h3-7H2,1-2H3,(H,10,12)
InChIKeyKYYKFFSWYAVLOC-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Valeramide, N-hexyl-
CID 82502
N-butylhexanamide
CID 252522
Poly(imino(1,6-dioxo-1,6-hexanediyl)imino-1,6-hexanediyl)
CID 3032893
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(9-oxodecyl)acetamide
CID 38358941
N-Hexylhexanamide
CID 25113
N-Butylpentanamide
CID 137707
N,N-Diethyl-4-oxopentanamide
CID 96169
6-Acetamidohexanamide
CID 21103226
6-acetamido-N-methylhexanamide
CID 341836
N1-acetyl-N7-n-hexanoyl cadaverine
CID 134337318
Pentanamide, N-isobutyl
CID 528622

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-oxopentanamide?
The IUPAC name of N-butyl-4-oxopentanamide (CID 12583962) is N-butyl-4-oxopentanamide.
What is the SMILES notation for N-butyl-4-oxopentanamide?
The canonical SMILES for N-butyl-4-oxopentanamide is CCCCNC(=O)CCC(C)=O.
What is the InChIKey of N-butyl-4-oxopentanamide?
The InChIKey is KYYKFFSWYAVLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h3-7H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-4-oxopentanamide?
N-butyl-4-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-oxopentanamide is sourced from PubChem (CID 12583962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).