4-propylheptanamide

C10H21NO — CID 3041945

IUPAC4-propylheptanamide
SMILESCCCC(CCC)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-3-5-9(6-4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyHCMKEJFDFDFAHN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.47
Rot. Bonds7

About 4-propylheptanamide

4-propylheptanamide (PubChem CID 3041945) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-propylheptanamide.

Molecular Properties

Compound Name4-propylheptanamide
PubChem CID3041945
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-propylheptanamide
SMILESCCCC(CCC)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-3-5-9(6-4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyHCMKEJFDFDFAHN-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-propylheptanamide 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 4-propylheptanamide?
The IUPAC name of 4-propylheptanamide (CID 3041945) is 4-propylheptanamide.
What is the SMILES notation for 4-propylheptanamide?
The canonical SMILES for 4-propylheptanamide is CCCC(CCC)CCC(N)=O.
What is the InChIKey of 4-propylheptanamide?
The InChIKey is HCMKEJFDFDFAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-9(6-4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 4-propylheptanamide?
4-propylheptanamide has a molecular weight of 171.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylheptanamide is sourced from PubChem (CID 3041945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).