[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate

C24H19NO4 — CID 134922103

IUPAC[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate
SMILESC/C(=N/OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c1-17(18-11-5-2-6-12-18)25-29-24(28)21(22(26)19-13-7-3-8-14-19)23(27)20-15-9-4-10-16-20/h2-16,21H,1H3/b25-17-
InChIKeyYRTVPHYGVHBFIA-UQQQWYQISA-N
MW385.42 g/mol
LogP4.34
Rot. Bonds7

About [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate

[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate (PubChem CID 134922103) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Name[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate
PubChem CID134922103
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate
SMILESC/C(=N/OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c1-17(18-11-5-2-6-12-18)25-29-24(28)21(22(26)19-13-7-3-8-14-19)23(27)20-15-9-4-10-16-20/h2-16,21H,1H3/b25-17-
InChIKeyYRTVPHYGVHBFIA-UQQQWYQISA-N
XLogP4.34
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate?
The IUPAC name of [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate (CID 134922103) is [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate.
What is the SMILES notation for [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate?
The canonical SMILES for [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate is C/C(=N/OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate?
The InChIKey is YRTVPHYGVHBFIA-UQQQWYQISA-N. The full InChI is InChI=1S/C24H19NO4/c1-17(18-11-5-2-6-12-18)25-29-24(28)21(22(26)19-13-7-3-8-14-19)23(27)20-15-9-4-10-16-20/h2-16,21H,1H3/b25-17-.
What are the key properties of [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate?
[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate has a molecular weight of 385.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 134922103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).