ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate

C19H22N2O4 — CID 109039451

IUPACethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNc2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-19(23)14-8-10-15(11-9-14)21-18(22)12-13-20-16-6-4-5-7-17(16)24-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyKKSAKVDQVSCYSA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.31
Rot. Bonds8

About ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate

ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate (PubChem CID 109039451) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
PubChem CID109039451
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNc2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-19(23)14-8-10-15(11-9-14)21-18(22)12-13-20-16-6-4-5-7-17(16)24-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyKKSAKVDQVSCYSA-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(2-methoxyanilino)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 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
ethyl 4-[[3-(2-bromoanilino)-3-oxopropyl]amino]benzoate
CID 109042098
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
CID 54817296
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate (CID 109039451) is ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCNc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate?
The InChIKey is KKSAKVDQVSCYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-19(23)14-8-10-15(11-9-14)21-18(22)12-13-20-16-6-4-5-7-17(16)24-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate?
ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate is sourced from PubChem (CID 109039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).