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

C20H20N2O5 — CID 2610170

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCOc1cccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)c1
InChIInChI=1S/C20H20N2O5/c1-14(23)21-18(11-15-7-4-3-5-8-15)20(25)27-13-19(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-11+
InChIKeyWJAFNAICJOATPI-WOJGMQOQSA-N
MW368.39 g/mol
LogP2.35
Rot. Bonds7

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

[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 2610170) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
PubChem CID2610170
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCOc1cccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)c1
InChIInChI=1S/C20H20N2O5/c1-14(23)21-18(11-15-7-4-3-5-8-15)20(25)27-13-19(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-11+
InChIKeyWJAFNAICJOATPI-WOJGMQOQSA-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-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834
[2-(3-methylsulfanylanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284877
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555105
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509097
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284695
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2624075
[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823238
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610338
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate (CID 2610170) is [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate is COc1cccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is WJAFNAICJOATPI-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-14(23)21-18(11-15-7-4-3-5-8-15)20(25)27-13-19(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b18-11+.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate?
[2-(3-methoxyanilino)-2-oxoethyl] (E)-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-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 2610170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).