(benzhydrylideneamino) 3-phenylpropanoate

C22H19NO2 — CID 91344070

IUPAC(benzhydrylideneamino) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(17-16-18-10-4-1-5-11-18)25-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZXJSXNNHEOXWBI-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.61
Rot. Bonds6

About (benzhydrylideneamino) 3-phenylpropanoate

(benzhydrylideneamino) 3-phenylpropanoate (PubChem CID 91344070) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (benzhydrylideneamino) 3-phenylpropanoate.

Molecular Properties

Compound Name(benzhydrylideneamino) 3-phenylpropanoate
PubChem CID91344070
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(benzhydrylideneamino) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(17-16-18-10-4-1-5-11-18)25-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZXJSXNNHEOXWBI-UHFFFAOYSA-N
XLogP4.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.61
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

[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
CID 43915241
(1,1,3,3-tetrachloropropan-2-ylideneamino) 3-phenylpropanoate
CID 88682978
[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
CID 5348619
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
(benzhydrylideneamino) hydrogen carbonate
CID 91323284
benzamide;methyl 3-phenylpropanoate
CID 154677392
carbamoyl 3-phenylpropanoate
CID 56614916
[(1-amino-2-naphthalen-1-ylethylidene)amino] 3-phenylpropanoate
CID 3700109
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854
azane;benzyl 3-phenylpropanoate
CID 175136325

Frequently Asked Questions

What is the IUPAC name of (benzhydrylideneamino) 3-phenylpropanoate?
The IUPAC name of (benzhydrylideneamino) 3-phenylpropanoate (CID 91344070) is (benzhydrylideneamino) 3-phenylpropanoate.
What is the SMILES notation for (benzhydrylideneamino) 3-phenylpropanoate?
The canonical SMILES for (benzhydrylideneamino) 3-phenylpropanoate is O=C(CCc1ccccc1)ON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzhydrylideneamino) 3-phenylpropanoate?
The InChIKey is ZXJSXNNHEOXWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21(17-16-18-10-4-1-5-11-18)25-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of (benzhydrylideneamino) 3-phenylpropanoate?
(benzhydrylideneamino) 3-phenylpropanoate has a molecular weight of 329.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylideneamino) 3-phenylpropanoate is sourced from PubChem (CID 91344070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).