N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide

C16H28ClNO — CID 55186838

IUPACN-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H28ClNO/c17-12-13-18(15-8-2-1-3-9-15)16(19)11-10-14-6-4-5-7-14/h14-15H,1-13H2
InChIKeyFXILONCXCGUIQF-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.36
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide

N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide (PubChem CID 55186838) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide
PubChem CID55186838
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H28ClNO/c17-12-13-18(15-8-2-1-3-9-15)16(19)11-10-14-6-4-5-7-14/h14-15H,1-13H2
InChIKeyFXILONCXCGUIQF-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide (CID 55186838) is N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide is O=C(CCC1CCCC1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide?
The InChIKey is FXILONCXCGUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c17-12-13-18(15-8-2-1-3-9-15)16(19)11-10-14-6-4-5-7-14/h14-15H,1-13H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide?
N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide has a molecular weight of 285.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-3-cyclopentylpropanamide is sourced from PubChem (CID 55186838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).