phenyl N-(3,4-dimethylcyclohexyl)carbamate

C15H21NO2 — CID 64747807

IUPACphenyl N-(3,4-dimethylcyclohexyl)carbamate
SMILESCC1CCC(NC(=O)Oc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-11-8-9-13(10-12(11)2)16-15(17)18-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,16,17)
InChIKeyJQBWBIDBMTZTNX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.60
Rot. Bonds2

About phenyl N-(3,4-dimethylcyclohexyl)carbamate

phenyl N-(3,4-dimethylcyclohexyl)carbamate (PubChem CID 64747807) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is phenyl N-(3,4-dimethylcyclohexyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3,4-dimethylcyclohexyl)carbamate
PubChem CID64747807
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namephenyl N-(3,4-dimethylcyclohexyl)carbamate
SMILESCC1CCC(NC(=O)Oc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-11-8-9-13(10-12(11)2)16-15(17)18-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,16,17)
InChIKeyJQBWBIDBMTZTNX-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze phenyl N-(3,4-dimethylcyclohexyl)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

benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-cyclopentylcarbamate
CID 12791466
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl N-(5-methylpiperidin-3-yl)carbamate
CID 75214530
phenyl N-(oxan-4-yl)carbamate
CID 61067434
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3,4-dimethylcyclohexyl)carbamate?
The IUPAC name of phenyl N-(3,4-dimethylcyclohexyl)carbamate (CID 64747807) is phenyl N-(3,4-dimethylcyclohexyl)carbamate.
What is the SMILES notation for phenyl N-(3,4-dimethylcyclohexyl)carbamate?
The canonical SMILES for phenyl N-(3,4-dimethylcyclohexyl)carbamate is CC1CCC(NC(=O)Oc2ccccc2)CC1C.
What is the InChIKey of phenyl N-(3,4-dimethylcyclohexyl)carbamate?
The InChIKey is JQBWBIDBMTZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-9-13(10-12(11)2)16-15(17)18-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,16,17).
What are the key properties of phenyl N-(3,4-dimethylcyclohexyl)carbamate?
phenyl N-(3,4-dimethylcyclohexyl)carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3,4-dimethylcyclohexyl)carbamate is sourced from PubChem (CID 64747807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).