ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate

C23H21NO2 — CID 101468495

IUPACethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
SMILESCCOC(=O)/C(=C(/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-26-23(25)21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,24H,2H2,1H3/b22-21+
InChIKeyRGUKSLKDRJEMJE-QURGRASLSA-N
MW343.43 g/mol
LogP5.23
Rot. Bonds6

About ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate

ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate (PubChem CID 101468495) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
PubChem CID101468495
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Nameethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
SMILESCCOC(=O)/C(=C(/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-26-23(25)21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,24H,2H2,1H3/b22-21+
InChIKeyRGUKSLKDRJEMJE-QURGRASLSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
ethyl (Z)-3-[2-(2-methylsulfanylphenyl)anilino]-2,3-diphenylprop-2-enoate
CID 10073197
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-anilino-2-chlorobut-2-enoate
CID 11345456
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate (CID 101468495) is ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate is CCOC(=O)/C(=C(/Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate?
The InChIKey is RGUKSLKDRJEMJE-QURGRASLSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-26-23(25)21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,24H,2H2,1H3/b22-21+.
What are the key properties of ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate?
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate has a molecular weight of 343.43 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate is sourced from PubChem (CID 101468495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).