methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate

C15H22N2O2 — CID 54864154

IUPACmethyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-6-12(9-11)16-13-7-4-8-14(10-13)17-15(18)19-2/h4,7-8,10-12,16H,3,5-6,9H2,1-2H3,(H,17,18)
InChIKeyJPCDRBXLFCVFEL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.86
Rot. Bonds3

About methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate

methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate (PubChem CID 54864154) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
PubChem CID54864154
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-6-12(9-11)16-13-7-4-8-14(10-13)17-15(18)19-2/h4,7-8,10-12,16H,3,5-6,9H2,1-2H3,(H,17,18)
InChIKeyJPCDRBXLFCVFEL-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43715386
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935
2-[3-[(3-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721143
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate (CID 54864154) is methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC2CCCC(C)C2)c1.
What is the InChIKey of methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate?
The InChIKey is JPCDRBXLFCVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-6-12(9-11)16-13-7-4-8-14(10-13)17-15(18)19-2/h4,7-8,10-12,16H,3,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate?
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 54864154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).