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

C21H23NO4 — CID 71762981

IUPAC[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
SMILESCC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1
InChIInChI=1S/C21H23NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-13,17,24H,2-4,8-9H2,1H3,(H,22,25)
InChIKeyHRTHNUHQESAVMB-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.68
Rot. Bonds4

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

[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate (PubChem CID 71762981) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
PubChem CID71762981
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
SMILESCC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1
InChIInChI=1S/C21H23NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-13,17,24H,2-4,8-9H2,1H3,(H,22,25)
InChIKeyHRTHNUHQESAVMB-UHFFFAOYSA-N
XLogP4.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate (CID 71762981) is [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate is CC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1.
What is the InChIKey of [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
The InChIKey is HRTHNUHQESAVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-13,17,24H,2-4,8-9H2,1H3,(H,22,25).
What are the key properties of [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate?
[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate has a molecular weight of 353.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71762981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).