6-chloro-N,N-dihexylhexanamide

C18H36ClNO — CID 533344

IUPAC6-chloro-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C18H36ClNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3
InChIKeyUNTCHXLMOYTQJB-UHFFFAOYSA-N
MW317.95 g/mol
LogP5.77
Rot. Bonds15

About 6-chloro-N,N-dihexylhexanamide

6-chloro-N,N-dihexylhexanamide (PubChem CID 533344) has the molecular formula C18H36ClNO and a molecular weight of 317.95 g/mol. Its IUPAC name is 6-chloro-N,N-dihexylhexanamide.

Molecular Properties

Compound Name6-chloro-N,N-dihexylhexanamide
PubChem CID533344
Molecular FormulaC18H36ClNO
Molecular Weight317.95 g/mol
Exact Mass317.25
IUPAC Name6-chloro-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C18H36ClNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3
InChIKeyUNTCHXLMOYTQJB-UHFFFAOYSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.95
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dihexylhexanamide?
The IUPAC name of 6-chloro-N,N-dihexylhexanamide (CID 533344) is 6-chloro-N,N-dihexylhexanamide.
What is the SMILES notation for 6-chloro-N,N-dihexylhexanamide?
The canonical SMILES for 6-chloro-N,N-dihexylhexanamide is CCCCCCN(CCCCCC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N,N-dihexylhexanamide?
The InChIKey is UNTCHXLMOYTQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36ClNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3.
What are the key properties of 6-chloro-N,N-dihexylhexanamide?
6-chloro-N,N-dihexylhexanamide has a molecular weight of 317.95 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dihexylhexanamide is sourced from PubChem (CID 533344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).