(4-aminocyclohexyl) N-(3-methylphenyl)carbamate

C14H20N2O2 — CID 79337441

IUPAC(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyJARZDEDUAKBKPE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.81
Rot. Bonds2

About (4-aminocyclohexyl) N-(3-methylphenyl)carbamate

(4-aminocyclohexyl) N-(3-methylphenyl)carbamate (PubChem CID 79337441) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-aminocyclohexyl) N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
PubChem CID79337441
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyJARZDEDUAKBKPE-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-methylphenyl)carbamate
CID 6927846
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-methylphenyl)carbamate
CID 6927848
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
CID 79113681
[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
CID 79336958
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
N-(3-methylphenyl)acetamide
CID 10843
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) N-(3-methylphenyl)carbamate?
The IUPAC name of (4-aminocyclohexyl) N-(3-methylphenyl)carbamate (CID 79337441) is (4-aminocyclohexyl) N-(3-methylphenyl)carbamate.
What is the SMILES notation for (4-aminocyclohexyl) N-(3-methylphenyl)carbamate?
The canonical SMILES for (4-aminocyclohexyl) N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC2CCC(N)CC2)c1.
What is the InChIKey of (4-aminocyclohexyl) N-(3-methylphenyl)carbamate?
The InChIKey is JARZDEDUAKBKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17).
What are the key properties of (4-aminocyclohexyl) N-(3-methylphenyl)carbamate?
(4-aminocyclohexyl) N-(3-methylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl) N-(3-methylphenyl)carbamate is sourced from PubChem (CID 79337441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).