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

C20H22N2O4 — CID 53394762

IUPAC[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1
InChIInChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
InChIKeyCMEQHOXCIGFZNJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.58
Rot. Bonds4

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

[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate (PubChem CID 53394762) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
PubChem CID53394762
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1
InChIInChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
InChIKeyCMEQHOXCIGFZNJ-UHFFFAOYSA-N
XLogP3.58
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate (CID 53394762) is [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The InChIKey is CMEQHOXCIGFZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25).
What are the key properties of [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate has a molecular weight of 354.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 53394762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).