ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate

C19H19NO3 — CID 11120432

IUPACethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)13-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b18-13-
InChIKeyBJFQRTPBXUYPPE-AQTBWJFISA-N
MW309.37 g/mol
LogP3.64
Rot. Bonds5

About ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate

ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate (PubChem CID 11120432) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
PubChem CID11120432
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)13-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b18-13-
InChIKeyBJFQRTPBXUYPPE-AQTBWJFISA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
ethyl (E)-3-[4-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]anilino]but-2-enoate
CID 5379118
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl (Z)-3-(4-methoxyanilino)-4-oxo-4-phenylbut-2-enoate
CID 118156749
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate (CID 11120432) is ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(/c1ccccc1)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate?
The InChIKey is BJFQRTPBXUYPPE-AQTBWJFISA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-19(22)13-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b18-13-.
What are the key properties of ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate?
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 11120432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).