methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate

C23H21NO2 — CID 14591093

IUPACmethyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H21NO2/c1-17-11-9-10-16-20(17)22(23(25)26-2)24-21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16,22H,1-2H3
InChIKeyBLRBWRDWUPMMLW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.75
Rot. Bonds5

About methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate

methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate (PubChem CID 14591093) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate
PubChem CID14591093
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H21NO2/c1-17-11-9-10-16-20(17)22(23(25)26-2)24-21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16,22H,1-2H3
InChIKeyBLRBWRDWUPMMLW-UHFFFAOYSA-N
XLogP4.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.75
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

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
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
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
(2R,3R)-2-[(S)-azido(phenyl)methyl]-5-(4-fluorophenyl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 134955414
Methyl 2-((diphenylmethylene)amino)-3-methyl-3-phenyl-2-(4-(trifluoromethyl)phenyl)butanoate
CID 162639856

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate (CID 14591093) is methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate is COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1C.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate?
The InChIKey is BLRBWRDWUPMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-11-9-10-16-20(17)22(23(25)26-2)24-21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16,22H,1-2H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate?
methyl 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetate has a molecular weight of 343.43 g/mol, XLogP of 4.75, 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-(2-methylphenyl)acetate is sourced from PubChem (CID 14591093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).