N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide

C18H26ClNO — CID 63391462

IUPACN-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N(CCCl)C1CCCCC1
InChIInChI=1S/C18H26ClNO/c19-14-15-20(17-11-5-2-6-12-17)18(21)13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyXEDITEPEGOJWBM-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.41
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide

N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide (PubChem CID 63391462) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
PubChem CID63391462
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N(CCCl)C1CCCCC1
InChIInChI=1S/C18H26ClNO/c19-14-15-20(17-11-5-2-6-12-17)18(21)13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyXEDITEPEGOJWBM-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.41
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-4-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 63391778
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide (CID 63391462) is N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide is O=C(CCCc1ccccc1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide?
The InChIKey is XEDITEPEGOJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-14-15-20(17-11-5-2-6-12-17)18(21)13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide?
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide has a molecular weight of 307.86 g/mol, XLogP of 4.41, 7 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-4-phenylbutanamide is sourced from PubChem (CID 63391462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).