methyl 3-(benzhydrylideneamino)-3-phenylpropanoate

C23H21NO2 — CID 164888027

IUPACmethyl 3-(benzhydrylideneamino)-3-phenylpropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-26-22(25)17-21(18-11-5-2-6-12-18)24-23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyMDYZVYITOFEEDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.83
Rot. Bonds6

About methyl 3-(benzhydrylideneamino)-3-phenylpropanoate

methyl 3-(benzhydrylideneamino)-3-phenylpropanoate (PubChem CID 164888027) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 3-(benzhydrylideneamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzhydrylideneamino)-3-phenylpropanoate
PubChem CID164888027
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namemethyl 3-(benzhydrylideneamino)-3-phenylpropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-26-22(25)17-21(18-11-5-2-6-12-18)24-23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyMDYZVYITOFEEDB-UHFFFAOYSA-N
XLogP4.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.83
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

methyl 2-benzyl-3-[(Z)-benzylidene(oxido)amino]propanoate
CID 44339460
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
methyl N-benzhydrylidenephenylglycinate
CID 11151629
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 11304230
Ethyl 2-(benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]acetate
CID 101131683
Methyl (s)-2-[(2-fluoro-2,2-diphenylethylidene)-amino]-3-phenylpropanoate
CID 129750126
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(3-fluorophenyl)-3-(prop-2-enylideneamino)propanoate
CID 134938870
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(2-fluorophenyl)-3-(prop-2-enylideneamino)propanoate
CID 134938871
Methyl 3-((diphenylmethylene)amino)-3-(4-(trifluoromethyl)phenyl)propanoate
CID 164888032
Methyl 3-((diphenylmethylene)amino)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
CID 164888057

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzhydrylideneamino)-3-phenylpropanoate?
The IUPAC name of methyl 3-(benzhydrylideneamino)-3-phenylpropanoate (CID 164888027) is methyl 3-(benzhydrylideneamino)-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(benzhydrylideneamino)-3-phenylpropanoate?
The canonical SMILES for methyl 3-(benzhydrylideneamino)-3-phenylpropanoate is COC(=O)CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(benzhydrylideneamino)-3-phenylpropanoate?
The InChIKey is MDYZVYITOFEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-26-22(25)17-21(18-11-5-2-6-12-18)24-23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3.
What are the key properties of methyl 3-(benzhydrylideneamino)-3-phenylpropanoate?
methyl 3-(benzhydrylideneamino)-3-phenylpropanoate has a molecular weight of 343.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzhydrylideneamino)-3-phenylpropanoate is sourced from PubChem (CID 164888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).