3-chloro-N,N-dihexylpropanamide

C15H30ClNO — CID 533192

IUPAC3-chloro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCl
InChIInChI=1S/C15H30ClNO/c1-3-5-7-9-13-17(15(18)11-12-16)14-10-8-6-4-2/h3-14H2,1-2H3
InChIKeySIHRUMLFKNAMRI-UHFFFAOYSA-N
MW275.86 g/mol
LogP4.60
Rot. Bonds12

About 3-chloro-N,N-dihexylpropanamide

3-chloro-N,N-dihexylpropanamide (PubChem CID 533192) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is 3-chloro-N,N-dihexylpropanamide.

Molecular Properties

Compound Name3-chloro-N,N-dihexylpropanamide
PubChem CID533192
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC Name3-chloro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCl
InChIInChI=1S/C15H30ClNO/c1-3-5-7-9-13-17(15(18)11-12-16)14-10-8-6-4-2/h3-14H2,1-2H3
InChIKeySIHRUMLFKNAMRI-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 54.60
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

2-Chloro-n,n-dipentylacetamide
CID 222384
2-chloro-N-cyclohexyl-N-ethylpropanamide
CID 4666994
2-Chloro-N-cyclohexyl-N-methylpropanamide
CID 5152357
3-chloro-N,N-diethylpropanamide
CID 5210698
1-(Azepan-1-yl)-2-chloropropan-1-one
CID 14209027
Chloroacetamide, N,N-dihexyl-
CID 533169
Propanamide, N,N-dibutyl-3-chloro-
CID 533190
3-Chloro-1-(piperidin-1-yl)propan-1-one
CID 3647118
4-Chloro-1-(2-methylpiperidin-1-yl)butan-1-one
CID 304101
Propanamide, N,N-dibutyl-2-chloro-
CID 533079
Propanamide, N,N-dihexyl-2-chloro-
CID 533081
Propanamide, N-decyl-N-methyl-2-chloro-
CID 533082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dihexylpropanamide?
The IUPAC name of 3-chloro-N,N-dihexylpropanamide (CID 533192) is 3-chloro-N,N-dihexylpropanamide.
What is the SMILES notation for 3-chloro-N,N-dihexylpropanamide?
The canonical SMILES for 3-chloro-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)CCCl.
What is the InChIKey of 3-chloro-N,N-dihexylpropanamide?
The InChIKey is SIHRUMLFKNAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-3-5-7-9-13-17(15(18)11-12-16)14-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 3-chloro-N,N-dihexylpropanamide?
3-chloro-N,N-dihexylpropanamide has a molecular weight of 275.86 g/mol, XLogP of 4.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dihexylpropanamide is sourced from PubChem (CID 533192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).