[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

C20H19NO5 — CID 4621174

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C20H19NO5/c1-14(22)16-8-4-5-9-17(16)21-19(23)13-26-20(24)12-11-15-7-3-6-10-18(15)25-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyOIXCGAYTXZZIJT-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.09
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 4621174) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
PubChem CID4621174
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C20H19NO5/c1-14(22)16-8-4-5-9-17(16)21-19(23)13-26-20(24)12-11-15-7-3-6-10-18(15)25-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyOIXCGAYTXZZIJT-UHFFFAOYSA-N
XLogP3.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7881985
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3300739
[2-(2-ethylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641246
[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641398
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2503702
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289124
methyl 2-[[2-[3-(2-ethoxyphenyl)prop-2-enoyloxy]acetyl]amino]benzoate
CID 71953273
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 2125651
[2-(2-carbamoylanilino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7788044
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 42042662
[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5057672

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (CID 4621174) is [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is OIXCGAYTXZZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-14(22)16-8-4-5-9-17(16)21-19(23)13-26-20(24)12-11-15-7-3-6-10-18(15)25-2/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 353.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 4621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).