[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate

C21H24N2O3 — CID 71511803

IUPAC[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
SMILESCc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyOWDDTHVKDDWPSM-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.18
Rot. Bonds4

About [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate (PubChem CID 71511803) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
PubChem CID71511803
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
SMILESCc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyOWDDTHVKDDWPSM-UHFFFAOYSA-N
XLogP4.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate (CID 71511803) is [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate is Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate?
The InChIKey is OWDDTHVKDDWPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate has a molecular weight of 352.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71511803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).