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

C19H19NO4 — CID 3300739

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H19NO4/c1-14-7-3-5-9-16(14)20-18(21)13-24-19(22)12-11-15-8-4-6-10-17(15)23-2/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeySQETXTQFSGCXHO-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.20
Rot. Bonds6

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

[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 3300739) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
PubChem CID3300739
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H19NO4/c1-14-7-3-5-9-16(14)20-18(21)13-24-19(22)12-11-15-8-4-6-10-17(15)23-2/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeySQETXTQFSGCXHO-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.20
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

[2-(2-methylanilino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850813
[2-(2-ethylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641246
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4621174
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641398
[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5057672
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7850119
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289124
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289086
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4223995
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2587262

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (CID 3300739) is [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1C=CC(=O)OCC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is SQETXTQFSGCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14-7-3-5-9-16(14)20-18(21)13-24-19(22)12-11-15-8-4-6-10-17(15)23-2/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 325.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 3300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).