N,N-dihexylpentanamide

C17H35NO — CID 532888

IUPACN,N-dihexylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCC
InChIInChI=1S/C17H35NO/c1-4-7-10-12-15-18(16-13-11-8-5-2)17(19)14-9-6-3/h4-16H2,1-3H3
InChIKeyJMPFRSTVOKJKHS-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.17
Rot. Bonds13

About N,N-dihexylpentanamide

N,N-dihexylpentanamide (PubChem CID 532888) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-dihexylpentanamide.

Molecular Properties

Compound NameN,N-dihexylpentanamide
PubChem CID532888
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-dihexylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCC
InChIInChI=1S/C17H35NO/c1-4-7-10-12-15-18(16-13-11-8-5-2)17(19)14-9-6-3/h4-16H2,1-3H3
InChIKeyJMPFRSTVOKJKHS-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexylpentanamide?
The IUPAC name of N,N-dihexylpentanamide (CID 532888) is N,N-dihexylpentanamide.
What is the SMILES notation for N,N-dihexylpentanamide?
The canonical SMILES for N,N-dihexylpentanamide is CCCCCCN(CCCCCC)C(=O)CCCC.
What is the InChIKey of N,N-dihexylpentanamide?
The InChIKey is JMPFRSTVOKJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-7-10-12-15-18(16-13-11-8-5-2)17(19)14-9-6-3/h4-16H2,1-3H3.
What are the key properties of N,N-dihexylpentanamide?
N,N-dihexylpentanamide has a molecular weight of 269.47 g/mol, XLogP of 5.17, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylpentanamide is sourced from PubChem (CID 532888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).