(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate

C21H33ClN2O2 — CID 69196917

IUPAC(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
SMILESCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H33ClN2O2/c1-23(2)16-6-4-5-7-17-8-12-19(13-9-17)24(3)21(25)26-20-14-10-18(22)11-15-20/h10-11,14-15,17,19H,4-9,12-13,16H2,1-3H3
InChIKeyDRYWJLYUSSZWCI-UHFFFAOYSA-N
MW380.96 g/mol
LogP5.45
Rot. Bonds8

About (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate

(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate (PubChem CID 69196917) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
PubChem CID69196917
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC Name(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
SMILESCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H33ClN2O2/c1-23(2)16-6-4-5-7-17-8-12-19(13-9-17)24(3)21(25)26-20-14-10-18(22)11-15-20/h10-11,14-15,17,19H,4-9,12-13,16H2,1-3H3
InChIKeyDRYWJLYUSSZWCI-UHFFFAOYSA-N
XLogP5.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.96
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate 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 (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate?
The IUPAC name of (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate (CID 69196917) is (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate is CN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate?
The InChIKey is DRYWJLYUSSZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2/c1-23(2)16-6-4-5-7-17-8-12-19(13-9-17)24(3)21(25)26-20-14-10-18(22)11-15-20/h10-11,14-15,17,19H,4-9,12-13,16H2,1-3H3.
What are the key properties of (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate?
(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate has a molecular weight of 380.96 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 69196917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).