N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide

C29H24N2O2 — CID 102043603

IUPACN-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide
SMILESO=C(c1ccccc1)C(CN(/N=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2O2/c32-28(25-17-9-3-10-18-25)27(24-15-7-2-8-16-24)22-31(29(33)26-19-11-4-12-20-26)30-21-23-13-5-1-6-14-23/h1-21,27H,22H2/b30-21-
InChIKeyIYUWRNMYZZZBIW-OFWBYEQRSA-N
MW432.52 g/mol
LogP5.83
Rot. Bonds8

About N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide

N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide (PubChem CID 102043603) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide
PubChem CID102043603
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC NameN-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide
SMILESO=C(c1ccccc1)C(CN(/N=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2O2/c32-28(25-17-9-3-10-18-25)27(24-15-7-2-8-16-24)22-31(29(33)26-19-11-4-12-20-26)30-21-23-13-5-1-6-14-23/h1-21,27H,22H2/b30-21-
InChIKeyIYUWRNMYZZZBIW-OFWBYEQRSA-N
XLogP5.83
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylpentane-1,4-dione
CID 13184730
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
1-benzyl-1-(benzylideneamino)urea
CID 71443494
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
CID 57116545
3-[benzoyl(tert-butyl)amino]-2-methylpropanoic acid
CID 82324552
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 44942692
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide?
The IUPAC name of N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide (CID 102043603) is N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide is O=C(c1ccccc1)C(CN(/N=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide?
The InChIKey is IYUWRNMYZZZBIW-OFWBYEQRSA-N. The full InChI is InChI=1S/C29H24N2O2/c32-28(25-17-9-3-10-18-25)27(24-15-7-2-8-16-24)22-31(29(33)26-19-11-4-12-20-26)30-21-23-13-5-1-6-14-23/h1-21,27H,22H2/b30-21-.
What are the key properties of N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide?
N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide is sourced from PubChem (CID 102043603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).