2-chloro-N,N-dihexylpropanamide

C15H30ClNO — CID 533081

IUPAC2-chloro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C15H30ClNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyCPIHTZXGVWMATK-UHFFFAOYSA-N
MW275.86 g/mol
LogP4.60
Rot. Bonds11

About 2-chloro-N,N-dihexylpropanamide

2-chloro-N,N-dihexylpropanamide (PubChem CID 533081) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is 2-chloro-N,N-dihexylpropanamide.

Molecular Properties

Compound Name2-chloro-N,N-dihexylpropanamide
PubChem CID533081
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC Name2-chloro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C15H30ClNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKeyCPIHTZXGVWMATK-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
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

2,2-dichloro-N,N-dihexylacetamide
CID 533320
2-amino-N,N-dihexylpropanamide
CID 54872127
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dihexylpropanamide?
The IUPAC name of 2-chloro-N,N-dihexylpropanamide (CID 533081) is 2-chloro-N,N-dihexylpropanamide.
What is the SMILES notation for 2-chloro-N,N-dihexylpropanamide?
The canonical SMILES for 2-chloro-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-dihexylpropanamide?
The InChIKey is CPIHTZXGVWMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 2-chloro-N,N-dihexylpropanamide?
2-chloro-N,N-dihexylpropanamide has a molecular weight of 275.86 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dihexylpropanamide is sourced from PubChem (CID 533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).