[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate

C20H20N2O2 — CID 6375376

IUPAC[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C1/CCCC/C1=C\c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20(21-18-12-5-2-6-13-18)24-22-19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23)/b17-15+,22-19-
InChIKeyLKOSOOKZYUARPW-WIGISAIBSA-N
MW320.39 g/mol
LogP5.25
Rot. Bonds3

About [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate

[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate (PubChem CID 6375376) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate
PubChem CID6375376
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C1/CCCC/C1=C\c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20(21-18-12-5-2-6-13-18)24-22-19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23)/b17-15+,22-19-
InChIKeyLKOSOOKZYUARPW-WIGISAIBSA-N
XLogP5.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate?
The IUPAC name of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate (CID 6375376) is [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate.
What is the SMILES notation for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate?
The canonical SMILES for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate is O=C(Nc1ccccc1)O/N=C1/CCCC/C1=C\c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate?
The InChIKey is LKOSOOKZYUARPW-WIGISAIBSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(21-18-12-5-2-6-13-18)24-22-19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23)/b17-15+,22-19-.
What are the key properties of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate?
[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate has a molecular weight of 320.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate is sourced from PubChem (CID 6375376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).