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

C21H23NO3 — CID 11233015

IUPAC[3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C21H23NO3/c1-15(23)16-7-5-8-17(13-16)18-9-6-12-20(14-18)25-21(24)22-19-10-3-2-4-11-19/h5-9,12-14,19H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyNMJHENRBGRMGLB-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.98
Rot. Bonds4

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

[3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11233015) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11233015
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C21H23NO3/c1-15(23)16-7-5-8-17(13-16)18-9-6-12-20(14-18)25-21(24)22-19-10-3-2-4-11-19/h5-9,12-14,19H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyNMJHENRBGRMGLB-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate (CID 11233015) is [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate is CC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is NMJHENRBGRMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(23)16-7-5-8-17(13-16)18-9-6-12-20(14-18)25-21(24)22-19-10-3-2-4-11-19/h5-9,12-14,19H,2-4,10-11H2,1H3,(H,22,24).
What are the key properties of [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 337.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-acetylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11233015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).