ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

C20H21NO4 — CID 4038214

IUPACethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1OCC)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-3-24-18-13-9-8-12-16(18)14-17(20(23)25-4-2)21-19(22)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,21,22)
InChIKeyUPLPZIQXWCWWJS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds7

About ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 4038214) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID4038214
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nameethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1OCC)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-3-24-18-13-9-8-12-16(18)14-17(20(23)25-4-2)21-19(22)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,21,22)
InChIKeyUPLPZIQXWCWWJS-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
ethyl 2-benzamidohex-2-enoate
CID 54135301
diethyl 2-[(2-ethoxyphenyl)methylidene]butanedioate
CID 176898227
N-[(Z)-3-[4-(2-anilino-2-oxoethyl)sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22187104
N-[(Z)-1-(2-ethoxyphenyl)-3-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783450
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
ethyl (Z)-2-benzamido-4-[methoxy(methyl)phosphoryl]but-2-enoate
CID 68913158
N-[(E)-1-(2-ethoxyphenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 19058559
N-[(Z)-3-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783446

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (CID 4038214) is ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is CCOC(=O)C(=Cc1ccccc1OCC)NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is UPLPZIQXWCWWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-24-18-13-9-8-12-16(18)14-17(20(23)25-4-2)21-19(22)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 339.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 4038214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).