methyl 2-(benzhydrylideneamino)-2-phenylacetate

C22H19NO2 — CID 11151629

IUPACmethyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,21H,1H3
InChIKeyFFQULNDVBDXWTR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.44
Rot. Bonds5

About methyl 2-(benzhydrylideneamino)-2-phenylacetate

methyl 2-(benzhydrylideneamino)-2-phenylacetate (PubChem CID 11151629) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-phenylacetate
PubChem CID11151629
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,21H,1H3
InChIKeyFFQULNDVBDXWTR-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[(diphenylmethylidene)amino]-5,5,6,6,7,7,8,8,8-nonafluorooctanoate
CID 14369844
Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
CID 58689
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
methyl 2-[(Z)-benzylidene(oxido)amino]-3-phenylpropanoate
CID 44339677
N-Benzhydrylidene-4-(trifluoromethyl)-L-phenylalanine tert-butyl ester
CID 10950488
Tert-butyl 2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 72791760
Methyl 2-phenyl-2-[(phenylmethylene)amino]acetate
CID 3714052
Rac-methyl-n-(diphenylmethylene)phenylalaninate
CID 11142452
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 11304230
Methyl 2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 13215479
Ethyl 2-(benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]acetate
CID 101131683
Methyl (s)-2-[(2-fluoro-2,2-diphenylethylidene)-amino]-3-phenylpropanoate
CID 129750126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-2-phenylacetate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-phenylacetate (CID 11151629) is methyl 2-(benzhydrylideneamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-phenylacetate is COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-phenylacetate?
The InChIKey is FFQULNDVBDXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22(24)21(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,21H,1H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-phenylacetate?
methyl 2-(benzhydrylideneamino)-2-phenylacetate has a molecular weight of 329.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-2-phenylacetate is sourced from PubChem (CID 11151629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).