[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate

C17H15NO2 — CID 166064621

IUPAC[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
SMILESCC(=O)O/N=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-14(19)20-18-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,18-17+
InChIKeyLJLUOIOITFHQRM-HUXYGNSESA-N
MW265.31 g/mol
LogP3.67
Rot. Bonds4

About [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate

[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate (PubChem CID 166064621) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
PubChem CID166064621
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
SMILESCC(=O)O/N=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-14(19)20-18-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,18-17+
InChIKeyLJLUOIOITFHQRM-HUXYGNSESA-N
XLogP3.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.67
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

methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
[(E)-1-phenylethylideneamino] acetate
CID 5392489
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
acetyl 3-phenylprop-2-enoate
CID 57206996
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
[[2-oxo-2-[4-[4-(3-oxo-3-phenylprop-1-enyl)phenyl]sulfanylphenyl]-1-phenylethylidene]amino] acetate
CID 156861627
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511

Frequently Asked Questions

What is the IUPAC name of [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate?
The IUPAC name of [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate (CID 166064621) is [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate.
What is the SMILES notation for [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate?
The canonical SMILES for [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate is CC(=O)O/N=C(\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate?
The InChIKey is LJLUOIOITFHQRM-HUXYGNSESA-N. The full InChI is InChI=1S/C17H15NO2/c1-14(19)20-18-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13H,1H3/b13-12+,18-17+.
What are the key properties of [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate?
[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate has a molecular weight of 265.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate is sourced from PubChem (CID 166064621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).