[(Z)-1,2,2-triphenylethylideneamino] acetate

C22H19NO2 — CID 53467016

IUPAC[(Z)-1,2,2-triphenylethylideneamino] acetate
SMILESCC(=O)O/N=C(\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-17(24)25-23-22(20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3/b23-22+
InChIKeyZORRUYQNXWWVEX-GHVJWSGMSA-N
MW329.40 g/mol
LogP4.79
Rot. Bonds5

About [(Z)-1,2,2-triphenylethylideneamino] acetate

[(Z)-1,2,2-triphenylethylideneamino] acetate (PubChem CID 53467016) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(Z)-1,2,2-triphenylethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1,2,2-triphenylethylideneamino] acetate
PubChem CID53467016
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name[(Z)-1,2,2-triphenylethylideneamino] acetate
SMILESCC(=O)O/N=C(\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-17(24)25-23-22(20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3/b23-22+
InChIKeyZORRUYQNXWWVEX-GHVJWSGMSA-N
XLogP4.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.79
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

[(E)-1-phenylethylideneamino] acetate
CID 5392489
[(2-bromo-1-phenylethylidene)amino] acetate
CID 86233217
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
CID 173102523
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
CID 6371713
[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
CID 166064621
[(E)-1,1-bis(4-fluorophenyl)propan-2-ylideneamino] acetate
CID 135077099
[(Z)-[(3Z)-3-(phenylhydrazinylidene)butan-2-ylidene]amino] acetate
CID 6413961
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2,2-triphenylethylideneamino] acetate?
The IUPAC name of [(Z)-1,2,2-triphenylethylideneamino] acetate (CID 53467016) is [(Z)-1,2,2-triphenylethylideneamino] acetate.
What is the SMILES notation for [(Z)-1,2,2-triphenylethylideneamino] acetate?
The canonical SMILES for [(Z)-1,2,2-triphenylethylideneamino] acetate is CC(=O)O/N=C(\c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1,2,2-triphenylethylideneamino] acetate?
The InChIKey is ZORRUYQNXWWVEX-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17(24)25-23-22(20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3/b23-22+.
What are the key properties of [(Z)-1,2,2-triphenylethylideneamino] acetate?
[(Z)-1,2,2-triphenylethylideneamino] acetate has a molecular weight of 329.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2,2-triphenylethylideneamino] acetate is sourced from PubChem (CID 53467016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).