[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C20H20N2O5 — CID 7284834

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCOc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H20N2O5/c1-14(23)21-18(12-15-6-4-3-5-7-15)20(25)27-13-19(24)22-16-8-10-17(26-2)11-9-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-
InChIKeyCDEYUEGOBVEOLE-PDGQHHTCSA-N
MW368.39 g/mol
LogP2.35
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284834) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284834
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCOc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H20N2O5/c1-14(23)21-18(12-15-6-4-3-5-7-15)20(25)27-13-19(24)22-16-8-10-17(26-2)11-9-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-
InChIKeyCDEYUEGOBVEOLE-PDGQHHTCSA-N
XLogP2.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610170
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
butyl 4-[[2-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 18225441
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284695
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 55524598
[2-(3-methylsulfanylanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284877
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2624075
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610224

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284834) is [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is COc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is CDEYUEGOBVEOLE-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-14(23)21-18(12-15-6-4-3-5-7-15)20(25)27-13-19(24)22-16-8-10-17(26-2)11-9-16/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 368.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).