ethyl (Z)-3-benzamidobut-2-enoate

C13H15NO3 — CID 11264789

IUPACethyl (Z)-3-benzamidobut-2-enoate
SMILESCCOC(=O)/C=C(/C)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-3-17-12(15)9-10(2)14-13(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,16)/b10-9-
InChIKeyKFFYUXCTXYMGPP-KTKRTIGZSA-N
MW233.27 g/mol
LogP1.88
Rot. Bonds4

About ethyl (Z)-3-benzamidobut-2-enoate

ethyl (Z)-3-benzamidobut-2-enoate (PubChem CID 11264789) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl (Z)-3-benzamidobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-benzamidobut-2-enoate
PubChem CID11264789
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl (Z)-3-benzamidobut-2-enoate
SMILESCCOC(=O)/C=C(/C)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-3-17-12(15)9-10(2)14-13(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,16)/b10-9-
InChIKeyKFFYUXCTXYMGPP-KTKRTIGZSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.88
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

2-Propenoic acid, 2-benzoylamino-3-phenyl-, ethyl ester
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methyl (2E,4E)-5-phenyl-2-[(phenylcarbonyl)amino]penta-2,4-dienoate
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Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
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Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
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Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
CID 657545
Benzamide, N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 677972
Methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate
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Methyl (benzoylamino)(cyclohexylidene)acetate
CID 739172
methyl (benzoylamino)(2,6-dimethyl-4H-pyran-4-ylidene)acetate
CID 759162
ethyl 3-benzamido-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1475736

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-benzamidobut-2-enoate?
The IUPAC name of ethyl (Z)-3-benzamidobut-2-enoate (CID 11264789) is ethyl (Z)-3-benzamidobut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-benzamidobut-2-enoate?
The canonical SMILES for ethyl (Z)-3-benzamidobut-2-enoate is CCOC(=O)/C=C(/C)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-benzamidobut-2-enoate?
The InChIKey is KFFYUXCTXYMGPP-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-12(15)9-10(2)14-13(16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,16)/b10-9-.
What are the key properties of ethyl (Z)-3-benzamidobut-2-enoate?
ethyl (Z)-3-benzamidobut-2-enoate has a molecular weight of 233.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-benzamidobut-2-enoate is sourced from PubChem (CID 11264789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).