N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide

C15H26ClNO — CID 114757993

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCC1(CCCl)CC1
InChIInChI=1S/C15H26ClNO/c16-11-10-15(8-9-15)12-17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18)
InChIKeyZIYKVTOOPIAWMI-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.87
Rot. Bonds7

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide (PubChem CID 114757993) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
PubChem CID114757993
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCC1(CCCl)CC1
InChIInChI=1S/C15H26ClNO/c16-11-10-15(8-9-15)12-17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18)
InChIKeyZIYKVTOOPIAWMI-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide 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-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
3-cyclopentyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751583
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114758016

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide (CID 114757993) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide?
The InChIKey is ZIYKVTOOPIAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c16-11-10-15(8-9-15)12-17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide has a molecular weight of 271.83 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 114757993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).