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

C26H32N2O4 — CID 11464751

IUPAC[3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C26H32N2O4/c29-25(27-21-11-3-1-4-12-21)31-23-15-7-9-19(17-23)20-10-8-16-24(18-20)32-26(30)28-22-13-5-2-6-14-22/h7-10,15-18,21-22H,1-6,11-14H2,(H,27,29)(H,28,30)
InChIKeyBWNJWTTWUNWDDY-UHFFFAOYSA-N
MW436.55 g/mol
LogP6.20
Rot. Bonds5

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

[3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 11464751) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate
PubChem CID11464751
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name[3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C26H32N2O4/c29-25(27-21-11-3-1-4-12-21)31-23-15-7-9-19(17-23)20-10-8-16-24(18-20)32-26(30)28-22-13-5-2-6-14-22/h7-10,15-18,21-22H,1-6,11-14H2,(H,27,29)(H,28,30)
InChIKeyBWNJWTTWUNWDDY-UHFFFAOYSA-N
XLogP6.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[3-(cyclohexylcarbamoyloxy)phenyl]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-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate (CID 11464751) is [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is BWNJWTTWUNWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c29-25(27-21-11-3-1-4-12-21)31-23-15-7-9-19(17-23)20-10-8-16-24(18-20)32-26(30)28-22-13-5-2-6-14-22/h7-10,15-18,21-22H,1-6,11-14H2,(H,27,29)(H,28,30).
What are the key properties of [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate?
[3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 436.55 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(cyclohexylcarbamoyloxy)phenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11464751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).