[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

C20H20N2O4 — CID 2685461

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESC=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3-12H,1,13-14H2,2H3,(H,21,23)
InChIKeyMOHKAPDGKZBMTR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.42
Rot. Bonds7

About [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 2685461) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID2685461
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESC=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3-12H,1,13-14H2,2H3,(H,21,23)
InChIKeyMOHKAPDGKZBMTR-UHFFFAOYSA-N
XLogP2.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.42
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

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510879
[2-oxo-2-(prop-2-enylamino)ethyl] 2-bromobenzoate
CID 2623905
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706272
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7359915
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7359899
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510878
heptyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 91720801
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611917
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16558889
1-methyl-1-phenyl-3-prop-2-enylthiourea
CID 13360327

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 2685461) is [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate is C=CCNC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is MOHKAPDGKZBMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h3-12H,1,13-14H2,2H3,(H,21,23).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 2685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).