6-chloro-N,N-dioctylhexanamide

C22H44ClNO — CID 533346

IUPAC6-chloro-N,N-dioctylhexanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C22H44ClNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3
InChIKeyYCAKAOFECFRADB-UHFFFAOYSA-N
MW374.05 g/mol
LogP7.34
Rot. Bonds19

About 6-chloro-N,N-dioctylhexanamide

6-chloro-N,N-dioctylhexanamide (PubChem CID 533346) has the molecular formula C22H44ClNO and a molecular weight of 374.05 g/mol. Its IUPAC name is 6-chloro-N,N-dioctylhexanamide.

Molecular Properties

Compound Name6-chloro-N,N-dioctylhexanamide
PubChem CID533346
Molecular FormulaC22H44ClNO
Molecular Weight374.05 g/mol
Exact Mass373.31
IUPAC Name6-chloro-N,N-dioctylhexanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCCCl
InChIInChI=1S/C22H44ClNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3
InChIKeyYCAKAOFECFRADB-UHFFFAOYSA-N
XLogP7.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 57.34
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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Related Compounds

N-(3-chloropropyl)hexadecanamide
CID 10925606
N,N-Dioctylhexanamide
CID 588480
N-(2-Chloroethyl)-N-methyldodecanamide
CID 3020139
Propanamide, N-heptyl-N-octyl-2-chloro-
CID 533085
Propanamide, N,N-dioctyl-2-chloro-
CID 533086
Propanamide, N,N-dinonyl-2-chloro-
CID 533087
Propanamide, N,N-didecyl-2-chloro-
CID 533088
Propanamide, N,N-diundecyl-2-chloro-
CID 533089
Propanamide, N-decyl-N-methyl-3-chloro-
CID 533193
Propanamide, N,N-diheptyl-3-chloro-
CID 533195
Propanamide, N-heptyl-N-octyl-3-chloro-
CID 533196
Propanamide, N,N-dioctyl-3-chloro-
CID 533197

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dioctylhexanamide?
The IUPAC name of 6-chloro-N,N-dioctylhexanamide (CID 533346) is 6-chloro-N,N-dioctylhexanamide.
What is the SMILES notation for 6-chloro-N,N-dioctylhexanamide?
The canonical SMILES for 6-chloro-N,N-dioctylhexanamide is CCCCCCCCN(CCCCCCCC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N,N-dioctylhexanamide?
The InChIKey is YCAKAOFECFRADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44ClNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3.
What are the key properties of 6-chloro-N,N-dioctylhexanamide?
6-chloro-N,N-dioctylhexanamide has a molecular weight of 374.05 g/mol, XLogP of 7.34, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dioctylhexanamide is sourced from PubChem (CID 533346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).