[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C19H20N2O5 — CID 2108782

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-25-16-5-3-2-4-13(16)8-11-18(23)26-12-17(22)21-15-9-6-14(7-10-15)19(20)24/h2-7,9-10H,8,11-12H2,1H3,(H2,20,24)(H,21,22)
InChIKeyYJXOFMHXGSHPNL-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.91
Rot. Bonds8

About [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 2108782) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID2108782
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-25-16-5-3-2-4-13(16)8-11-18(23)26-12-17(22)21-15-9-6-14(7-10-15)19(20)24/h2-7,9-10H,8,11-12H2,1H3,(H2,20,24)(H,21,22)
InChIKeyYJXOFMHXGSHPNL-UHFFFAOYSA-N
XLogP1.91
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 2108782) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is YJXOFMHXGSHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-16-5-3-2-4-13(16)8-11-18(23)26-12-17(22)21-15-9-6-14(7-10-15)19(20)24/h2-7,9-10H,8,11-12H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 356.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 2108782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).