N,N-dihexylbenzamide

C19H31NO — CID 4577308

IUPACN,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyNWHLOKKFFRQNEJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.29
Rot. Bonds11

About N,N-dihexylbenzamide

N,N-dihexylbenzamide (PubChem CID 4577308) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N,N-dihexylbenzamide.

Molecular Properties

Compound NameN,N-dihexylbenzamide
PubChem CID4577308
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyNWHLOKKFFRQNEJ-UHFFFAOYSA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.29
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-dihexylbenzamide?
The IUPAC name of N,N-dihexylbenzamide (CID 4577308) is N,N-dihexylbenzamide.
What is the SMILES notation for N,N-dihexylbenzamide?
The canonical SMILES for N,N-dihexylbenzamide is CCCCCCN(CCCCCC)C(=O)c1ccccc1.
What is the InChIKey of N,N-dihexylbenzamide?
The InChIKey is NWHLOKKFFRQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of N,N-dihexylbenzamide?
N,N-dihexylbenzamide has a molecular weight of 289.46 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylbenzamide is sourced from PubChem (CID 4577308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).