(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate

C14H20N2O3 — CID 79465855

IUPAC(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC1CCCC(N)C1
InChIInChI=1S/C14H20N2O3/c1-18-13-8-3-2-7-12(13)16-14(17)19-11-6-4-5-10(15)9-11/h2-3,7-8,10-11H,4-6,9,15H2,1H3,(H,16,17)
InChIKeyHPSUXYBFGIMQPU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds3

About (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate

(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate (PubChem CID 79465855) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
PubChem CID79465855
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC1CCCC(N)C1
InChIInChI=1S/C14H20N2O3/c1-18-13-8-3-2-7-12(13)16-14(17)19-11-6-4-5-10(15)9-11/h2-3,7-8,10-11H,4-6,9,15H2,1H3,(H,16,17)
InChIKeyHPSUXYBFGIMQPU-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
CID 79458051
(2-methylcyclohexyl) N-(2-methoxyphenyl)carbamate
CID 3641247
[(1R,5R)-3,3,5-trimethylcyclohexyl] N-(2-methoxyphenyl)carbamate
CID 142739719
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
CID 156602687

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate?
The IUPAC name of (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate (CID 79465855) is (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate?
The canonical SMILES for (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OC1CCCC(N)C1.
What is the InChIKey of (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate?
The InChIKey is HPSUXYBFGIMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-8-3-2-7-12(13)16-14(17)19-11-6-4-5-10(15)9-11/h2-3,7-8,10-11H,4-6,9,15H2,1H3,(H,16,17).
What are the key properties of (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate?
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 79465855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).