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

C22H27NO2 — CID 11393573

IUPAC[3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCCCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C22H27NO2/c1-2-8-17-9-6-10-18(15-17)19-11-7-14-21(16-19)25-22(24)23-20-12-4-3-5-13-20/h6-7,9-11,14-16,20H,2-5,8,12-13H2,1H3,(H,23,24)
InChIKeyDCGIWCHHBRYVIA-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.73
Rot. Bonds5

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

[3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11393573) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11393573
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate
SMILESCCCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C22H27NO2/c1-2-8-17-9-6-10-18(15-17)19-11-7-14-21(16-19)25-22(24)23-20-12-4-3-5-13-20/h6-7,9-11,14-16,20H,2-5,8,12-13H2,1H3,(H,23,24)
InChIKeyDCGIWCHHBRYVIA-UHFFFAOYSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate (CID 11393573) is [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate is CCCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is DCGIWCHHBRYVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-8-17-9-6-10-18(15-17)19-11-7-14-21(16-19)25-22(24)23-20-12-4-3-5-13-20/h6-7,9-11,14-16,20H,2-5,8,12-13H2,1H3,(H,23,24).
What are the key properties of [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 337.46 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11393573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).