ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate

C24H21NO3 — CID 19165915

IUPACethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-2-28-24(27)20-15-9-10-16-22(20)25-23(26)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-17H,2H2,1H3,(H,25,26)/b21-17+
InChIKeyUIPLQKGTRBQAPO-HEHNFIMWSA-N
MW371.44 g/mol
LogP5.04
Rot. Bonds6

About ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate

ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate (PubChem CID 19165915) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
PubChem CID19165915
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Nameethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-2-28-24(27)20-15-9-10-16-22(20)25-23(26)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-17H,2H2,1H3,(H,25,26)/b21-17+
InChIKeyUIPLQKGTRBQAPO-HEHNFIMWSA-N
XLogP5.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.04
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'}

Analyze ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzoate
CID 1316307
ethyl 4-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312009
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812
ethyl 5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761554
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
ethyl 4-carbamoyl-5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-2-methylfuran-3-carboxylate
CID 108757090
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
CID 71951855
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate (CID 19165915) is ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate?
The InChIKey is UIPLQKGTRBQAPO-HEHNFIMWSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-28-24(27)20-15-9-10-16-22(20)25-23(26)21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-17H,2H2,1H3,(H,25,26)/b21-17+.
What are the key properties of ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate?
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate has a molecular weight of 371.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate is sourced from PubChem (CID 19165915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).