[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate

C20H23NO2 — CID 11197633

IUPAC[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-12-19(14-17)23-20(22)21-18-10-3-2-4-11-18/h5-9,12-14,18H,2-4,10-11H2,1H3,(H,21,22)
InChIKeyPUEICCTUQWULMP-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.08
Rot. Bonds3

About [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate

[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11197633) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11197633
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-12-19(14-17)23-20(22)21-18-10-3-2-4-11-18/h5-9,12-14,18H,2-4,10-11H2,1H3,(H,21,22)
InChIKeyPUEICCTUQWULMP-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate (CID 11197633) is [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate is Cc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is PUEICCTUQWULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-12-19(14-17)23-20(22)21-18-10-3-2-4-11-18/h5-9,12-14,18H,2-4,10-11H2,1H3,(H,21,22).
What are the key properties of [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 309.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11197633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).