[(3,3-diphenylcyclobutylidene)amino] benzoate

C23H19NO2 — CID 11772212

IUPAC[(3,3-diphenylcyclobutylidene)amino] benzoate
SMILESO=C(ON=C1CC(c2ccccc2)(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(18-10-4-1-5-11-18)26-24-21-16-23(17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKGTDJWZAENGADP-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.98
Rot. Bonds4

About [(3,3-diphenylcyclobutylidene)amino] benzoate

[(3,3-diphenylcyclobutylidene)amino] benzoate (PubChem CID 11772212) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3,3-diphenylcyclobutylidene)amino] benzoate.

Molecular Properties

Compound Name[(3,3-diphenylcyclobutylidene)amino] benzoate
PubChem CID11772212
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name[(3,3-diphenylcyclobutylidene)amino] benzoate
SMILESO=C(ON=C1CC(c2ccccc2)(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(18-10-4-1-5-11-18)26-24-21-16-23(17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKGTDJWZAENGADP-UHFFFAOYSA-N
XLogP4.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.98
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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Related Compounds

[(3-tert-butylcyclobutylidene)amino] benzoate
CID 102015578
2,6-dioxo-4,4-diphenylcyclohexane-1-carboxamide
CID 67153697
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
(cyclohexylideneamino) 3-hydroxybenzoate
CID 71600482
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
[(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] benzoate
CID 2822575
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(E)-ethylideneamino] benzoate
CID 59571787

Frequently Asked Questions

What is the IUPAC name of [(3,3-diphenylcyclobutylidene)amino] benzoate?
The IUPAC name of [(3,3-diphenylcyclobutylidene)amino] benzoate (CID 11772212) is [(3,3-diphenylcyclobutylidene)amino] benzoate.
What is the SMILES notation for [(3,3-diphenylcyclobutylidene)amino] benzoate?
The canonical SMILES for [(3,3-diphenylcyclobutylidene)amino] benzoate is O=C(ON=C1CC(c2ccccc2)(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of [(3,3-diphenylcyclobutylidene)amino] benzoate?
The InChIKey is KGTDJWZAENGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22(18-10-4-1-5-11-18)26-24-21-16-23(17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of [(3,3-diphenylcyclobutylidene)amino] benzoate?
[(3,3-diphenylcyclobutylidene)amino] benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,3-diphenylcyclobutylidene)amino] benzoate is sourced from PubChem (CID 11772212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).