N,N-dihexyloctanamide

C20H41NO — CID 533135

IUPACN,N-dihexyloctanamide
SMILESCCCCCCCC(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C20H41NO/c1-4-7-10-13-14-17-20(22)21(18-15-11-8-5-2)19-16-12-9-6-3/h4-19H2,1-3H3
InChIKeyZFDFITYPADKELQ-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.34
Rot. Bonds16

About N,N-dihexyloctanamide

N,N-dihexyloctanamide (PubChem CID 533135) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N,N-dihexyloctanamide.

Molecular Properties

Compound NameN,N-dihexyloctanamide
PubChem CID533135
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN,N-dihexyloctanamide
SMILESCCCCCCCC(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C20H41NO/c1-4-7-10-13-14-17-20(22)21(18-15-11-8-5-2)19-16-12-9-6-3/h4-19H2,1-3H3
InChIKeyZFDFITYPADKELQ-UHFFFAOYSA-N
XLogP6.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.34
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-dihexyloctanamide?
The IUPAC name of N,N-dihexyloctanamide (CID 533135) is N,N-dihexyloctanamide.
What is the SMILES notation for N,N-dihexyloctanamide?
The canonical SMILES for N,N-dihexyloctanamide is CCCCCCCC(=O)N(CCCCCC)CCCCCC.
What is the InChIKey of N,N-dihexyloctanamide?
The InChIKey is ZFDFITYPADKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-7-10-13-14-17-20(22)21(18-15-11-8-5-2)19-16-12-9-6-3/h4-19H2,1-3H3.
What are the key properties of N,N-dihexyloctanamide?
N,N-dihexyloctanamide has a molecular weight of 311.55 g/mol, XLogP of 6.34, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyloctanamide is sourced from PubChem (CID 533135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).