methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate

C19H20N2O3 — CID 30575321

IUPACmethyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate
SMILESC=CCN(C(=O)CNc1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-3-13-21(15-9-5-4-6-10-15)18(22)14-20-17-12-8-7-11-16(17)19(23)24-2/h3-12,20H,1,13-14H2,2H3
InChIKeyOZBKFGKLAFQHCZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.10
Rot. Bonds7

About methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate

methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate (PubChem CID 30575321) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate
PubChem CID30575321
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate
SMILESC=CCN(C(=O)CNc1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-3-13-21(15-9-5-4-6-10-15)18(22)14-20-17-12-8-7-11-16(17)19(23)24-2/h3-12,20H,1,13-14H2,2H3
InChIKeyOZBKFGKLAFQHCZ-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
CID 9290194
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 4-[3-oxo-3-(N-prop-2-enylanilino)prop-1-enyl]benzoate
CID 76859244
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-phenyl-N-prop-2-enylacetamide
CID 25333155
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-[[cyclopentyl(prop-2-enyl)carbamoyl]amino]benzoate
CID 23991843
3-(4-methoxyphenyl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate (CID 30575321) is methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate is C=CCN(C(=O)CNc1ccccc1C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate?
The InChIKey is OZBKFGKLAFQHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-13-21(15-9-5-4-6-10-15)18(22)14-20-17-12-8-7-11-16(17)19(23)24-2/h3-12,20H,1,13-14H2,2H3.
What are the key properties of methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate?
methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate is sourced from PubChem (CID 30575321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).