methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate

C30H27NO2 — CID 162639846

IUPACmethyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)(N=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NO2/c1-30(29(32)33-2,27(23-15-7-3-8-16-23)24-17-9-4-10-18-24)31-28(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3
InChIKeyLBZMQMFMQYKRKB-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.29
Rot. Bonds7

About methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate

methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate (PubChem CID 162639846) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate
PubChem CID162639846
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)(N=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NO2/c1-30(29(32)33-2,27(23-15-7-3-8-16-23)24-17-9-4-10-18-24)31-28(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3
InChIKeyLBZMQMFMQYKRKB-UHFFFAOYSA-N
XLogP6.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.29
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
Rac-methyl-n-(diphenylmethylene)phenylalaninate
CID 11142452
methyl N-benzhydrylidenephenylglycinate
CID 11151629
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 11304230
Methyl (s)-2-[(2-fluoro-2,2-diphenylethylidene)-amino]-3-phenylpropanoate
CID 129750126
tert-butyl (2S)-2-(benzhydrylideneamino)-3,3-bis(4-fluorophenyl)propanoate
CID 134833439
tert-butyl (2S)-2-[(E,1R)-1,3-diphenylprop-2-enyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole-2-carboxylate
CID 138984102
ethyl (2S)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-5-(2-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417433
ethyl (2S)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-5-(3-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417434
ethyl (2S)-2-[(E,1R)-1,3-diphenylprop-2-enyl]-5-(2-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417439
ethyl (2S)-2-[(E,1R)-1,3-diphenylprop-2-enyl]-5-(3-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417440
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-methyl-3,3-diphenylpropanoate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate (CID 162639846) is methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate is COC(=O)C(C)(N=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate?
The InChIKey is LBZMQMFMQYKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c1-30(29(32)33-2,27(23-15-7-3-8-16-23)24-17-9-4-10-18-24)31-28(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate?
methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate has a molecular weight of 433.55 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-2-methyl-3,3-diphenylpropanoate is sourced from PubChem (CID 162639846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).