2-methyl-4-oxo-N-propan-2-ylpentanamide

C9H17NO2 — CID 88915731

IUPAC2-methyl-4-oxo-N-propan-2-ylpentanamide
SMILESCC(=O)CC(C)C(=O)NC(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)10-9(12)7(3)5-8(4)11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyHPMTVEYMVGSDLI-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-4-oxo-N-propan-2-ylpentanamide

2-methyl-4-oxo-N-propan-2-ylpentanamide (PubChem CID 88915731) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-propan-2-ylpentanamide
PubChem CID88915731
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-4-oxo-N-propan-2-ylpentanamide
SMILESCC(=O)CC(C)C(=O)NC(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)10-9(12)7(3)5-8(4)11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyHPMTVEYMVGSDLI-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-oxo-N-propan-2-ylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-propan-2-ylpentanamide?
The IUPAC name of 2-methyl-4-oxo-N-propan-2-ylpentanamide (CID 88915731) is 2-methyl-4-oxo-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-methyl-4-oxo-N-propan-2-ylpentanamide?
The canonical SMILES for 2-methyl-4-oxo-N-propan-2-ylpentanamide is CC(=O)CC(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-4-oxo-N-propan-2-ylpentanamide?
The InChIKey is HPMTVEYMVGSDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-9(12)7(3)5-8(4)11/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of 2-methyl-4-oxo-N-propan-2-ylpentanamide?
2-methyl-4-oxo-N-propan-2-ylpentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-N-propan-2-ylpentanamide is sourced from PubChem (CID 88915731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).