ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate

C19H21NO4 — CID 9228232

IUPACethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2ccccc2OC)c1
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)15-8-6-9-16(13-15)20-18(21)12-11-14-7-4-5-10-17(14)23-2/h4-10,13H,3,11-12H2,1-2H3,(H,20,21)
InChIKeySDQKMEBQIRNAHP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds7

About ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate

ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate (PubChem CID 9228232) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
PubChem CID9228232
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2ccccc2OC)c1
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)15-8-6-9-16(13-15)20-18(21)12-11-14-7-4-5-10-17(14)23-2/h4-10,13H,3,11-12H2,1-2H3,(H,20,21)
InChIKeySDQKMEBQIRNAHP-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-[3-(2-fluorophenyl)propanoylamino]benzoate
CID 9228364
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
ethyl 3-(4-hydroxybutanoylamino)benzoate
CID 79192155
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate (CID 9228232) is ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)CCc2ccccc2OC)c1.
What is the InChIKey of ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is SDQKMEBQIRNAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(22)15-8-6-9-16(13-15)20-18(21)12-11-14-7-4-5-10-17(14)23-2/h4-10,13H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate?
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 9228232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).