[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate

C21H23NO2 — CID 11131063

IUPAC[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c23-21(22-19-9-5-2-6-10-19)24-20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,22,23)/b12-11-
InChIKeyZIRRBYWLFVUSHK-QXMHVHEDSA-N
MW321.42 g/mol
LogP5.28
Rot. Bonds4

About [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate

[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 11131063) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate
PubChem CID11131063
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c23-21(22-19-9-5-2-6-10-19)24-20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,22,23)/b12-11-
InChIKeyZIRRBYWLFVUSHK-QXMHVHEDSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate (CID 11131063) is [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1ccc(/C=C\c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is ZIRRBYWLFVUSHK-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H23NO2/c23-21(22-19-9-5-2-6-10-19)24-20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,22,23)/b12-11-.
What are the key properties of [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate?
[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 321.42 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).