(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate

C17H24ClNO2 — CID 18370052

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)21-17(20)19-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)
InChIKeyCEPVTJONKPMMAZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP5.35
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate (PubChem CID 18370052) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
PubChem CID18370052
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)21-17(20)19-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)
InChIKeyCEPVTJONKPMMAZ-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate 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

(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate
CID 43835253
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-chlorophenyl)sulfanylacetate
CID 45155655
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
2-O-methyl 4-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4S,5R)-5-(4-chlorophenyl)pyrrolidine-2,4-dicarboxylate
CID 101133650
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
CID 121007431
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2E)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 11325590
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-acetamidobenzoate
CID 25402370
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,4-dichlorophenoxy)acetate
CID 53297550
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1S)-2,2,2-trichloro-1-(4-nitroanilino)ethyl]carbamate
CID 51729866

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate (CID 18370052) is (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate is CC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate?
The InChIKey is CEPVTJONKPMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)21-17(20)19-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate has a molecular weight of 309.84 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 18370052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).