(3,5-diphenylphenyl) N-cyclohexylcarbamate

C25H25NO2 — CID 44572265

IUPAC(3,5-diphenylphenyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H25NO2/c27-25(26-23-14-8-3-9-15-23)28-24-17-21(19-10-4-1-5-11-19)16-22(18-24)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18,23H,3,8-9,14-15H2,(H,26,27)
InChIKeyXMACYJIRVOKHIF-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.44
Rot. Bonds4

About (3,5-diphenylphenyl) N-cyclohexylcarbamate

(3,5-diphenylphenyl) N-cyclohexylcarbamate (PubChem CID 44572265) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3,5-diphenylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(3,5-diphenylphenyl) N-cyclohexylcarbamate
PubChem CID44572265
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(3,5-diphenylphenyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H25NO2/c27-25(26-23-14-8-3-9-15-23)28-24-17-21(19-10-4-1-5-11-19)16-22(18-24)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18,23H,3,8-9,14-15H2,(H,26,27)
InChIKeyXMACYJIRVOKHIF-UHFFFAOYSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (3,5-diphenylphenyl) N-cyclohexylcarbamate (CID 44572265) is (3,5-diphenylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (3,5-diphenylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (3,5-diphenylphenyl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of (3,5-diphenylphenyl) N-cyclohexylcarbamate?
The InChIKey is XMACYJIRVOKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(26-23-14-8-3-9-15-23)28-24-17-21(19-10-4-1-5-11-19)16-22(18-24)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18,23H,3,8-9,14-15H2,(H,26,27).
What are the key properties of (3,5-diphenylphenyl) N-cyclohexylcarbamate?
(3,5-diphenylphenyl) N-cyclohexylcarbamate has a molecular weight of 371.48 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 44572265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).