[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate

C20H19NO2 — CID 6373206

IUPAC[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate
SMILESO=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO2/c22-20(17-11-5-2-6-12-17)23-21-19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2/b18-15+,21-19-
InChIKeyUGXGWNOSUYLGMZ-YDDLXSOJSA-N
MW305.38 g/mol
LogP4.86
Rot. Bonds3

About [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate

[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate (PubChem CID 6373206) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate.

Molecular Properties

Compound Name[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate
PubChem CID6373206
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate
SMILESO=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO2/c22-20(17-11-5-2-6-12-17)23-21-19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2/b18-15+,21-19-
InChIKeyUGXGWNOSUYLGMZ-YDDLXSOJSA-N
XLogP4.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
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] benzoate?
The IUPAC name of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate (CID 6373206) is [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate.
What is the SMILES notation for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate?
The canonical SMILES for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate is O=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate?
The InChIKey is UGXGWNOSUYLGMZ-YDDLXSOJSA-N. The full InChI is InChI=1S/C20H19NO2/c22-20(17-11-5-2-6-12-17)23-21-19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2/b18-15+,21-19-.
What are the key properties of [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate?
[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate has a molecular weight of 305.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-benzylidenecyclohexylidene]amino] benzoate is sourced from PubChem (CID 6373206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).