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

C26H27NO2 — CID 11372566

IUPAC[3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(Cc3ccccc3)c2)c1
InChIInChI=1S/C26H27NO2/c28-26(27-24-14-5-2-6-15-24)29-25-16-8-13-23(19-25)22-12-7-11-21(18-22)17-20-9-3-1-4-10-20/h1,3-4,7-13,16,18-19,24H,2,5-6,14-15,17H2,(H,27,28)
InChIKeyZEXUNDKOGMQQQJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.37
Rot. Bonds5

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

[3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11372566) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11372566
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name[3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(Cc3ccccc3)c2)c1
InChIInChI=1S/C26H27NO2/c28-26(27-24-14-5-2-6-15-24)29-25-16-8-13-23(19-25)22-12-7-11-21(18-22)17-20-9-3-1-4-10-20/h1,3-4,7-13,16,18-19,24H,2,5-6,14-15,17H2,(H,27,28)
InChIKeyZEXUNDKOGMQQQJ-UHFFFAOYSA-N
XLogP6.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate (CID 11372566) is [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cccc(Cc3ccccc3)c2)c1.
What is the InChIKey of [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is ZEXUNDKOGMQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c28-26(27-24-14-5-2-6-15-24)29-25-16-8-13-23(19-25)22-12-7-11-21(18-22)17-20-9-3-1-4-10-20/h1,3-4,7-13,16,18-19,24H,2,5-6,14-15,17H2,(H,27,28).
What are the key properties of [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 385.51 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-benzylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11372566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).