ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate

C15H17NO3 — CID 11436851

IUPACethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OCC)C(=O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-4-11-16(12(3)15(18)19-5-2)14(17)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3
InChIKeyMRUHKDGLCPBGKN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds6

About ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate

ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate (PubChem CID 11436851) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
PubChem CID11436851
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OCC)C(=O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-4-11-16(12(3)15(18)19-5-2)14(17)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3
InChIKeyMRUHKDGLCPBGKN-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 14566
Ethyl Hippurate
CID 226558
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methyl (2E,4E)-5-phenyl-2-[(phenylcarbonyl)amino]penta-2,4-dienoate
CID 5719594
Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
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CID 5338179
2-benzyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
CID 44451905
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
Cyanomethyl (benzoylamino)acetate
CID 2341321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The IUPAC name of ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate (CID 11436851) is ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate.
What is the SMILES notation for ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The canonical SMILES for ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate is C=CCN(C(=C)C(=O)OCC)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The InChIKey is MRUHKDGLCPBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-11-16(12(3)15(18)19-5-2)14(17)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3.
What are the key properties of ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate is sourced from PubChem (CID 11436851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).