ethyl 2-(benzhydrylideneamino)-2-phenylacetate

C23H21NO2 — CID 6426031

IUPACethyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESCCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-26-23(25)22(20-16-10-5-11-17-20)24-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,22H,2H2,1H3
InChIKeyUJWRLNNRQNZSDC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.83
Rot. Bonds6

About ethyl 2-(benzhydrylideneamino)-2-phenylacetate

ethyl 2-(benzhydrylideneamino)-2-phenylacetate (PubChem CID 6426031) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 2-(benzhydrylideneamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(benzhydrylideneamino)-2-phenylacetate
PubChem CID6426031
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Nameethyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESCCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-26-23(25)22(20-16-10-5-11-17-20)24-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,22H,2H2,1H3
InChIKeyUJWRLNNRQNZSDC-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

2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
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
Ammonium, diethyl(alpha-(hydroxymethyl)benzyl)methyl-, bromide, diphenylacetate
CID 24833116
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
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
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester
CID 11106816
Rac-methyl-n-(diphenylmethylene)phenylalaninate
CID 11142452
methyl N-benzhydrylidenephenylglycinate
CID 11151629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzhydrylideneamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(benzhydrylideneamino)-2-phenylacetate (CID 6426031) is ethyl 2-(benzhydrylideneamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(benzhydrylideneamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(benzhydrylideneamino)-2-phenylacetate is CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(benzhydrylideneamino)-2-phenylacetate?
The InChIKey is UJWRLNNRQNZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-26-23(25)22(20-16-10-5-11-17-20)24-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,22H,2H2,1H3.
What are the key properties of ethyl 2-(benzhydrylideneamino)-2-phenylacetate?
ethyl 2-(benzhydrylideneamino)-2-phenylacetate 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 ethyl 2-(benzhydrylideneamino)-2-phenylacetate is sourced from PubChem (CID 6426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).