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

C19H19NO4 — CID 71823238

IUPAC[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(C=CC(=O)OCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H19NO4/c1-14-5-3-7-16(11-14)20-18(21)13-24-19(22)10-9-15-6-4-8-17(12-15)23-2/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyHGZWNPJEYBPKND-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.20
Rot. Bonds6

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

[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 71823238) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
PubChem CID71823238
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(C=CC(=O)OCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H19NO4/c1-14-5-3-7-16(11-14)20-18(21)13-24-19(22)10-9-15-6-4-8-17(12-15)23-2/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyHGZWNPJEYBPKND-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-(4-methylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543449
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543537
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543477
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509097
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552651
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6212584
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883197
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868050
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 16596081
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542383
[2-(4-methoxyanilino)-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate
CID 3527896
[2-(3-methoxyanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2508134

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate (CID 71823238) is [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(C=CC(=O)OCC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is HGZWNPJEYBPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14-5-3-7-16(11-14)20-18(21)13-24-19(22)10-9-15-6-4-8-17(12-15)23-2/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate?
[2-(3-methylanilino)-2-oxoethyl] 3-(3-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-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 71823238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).