ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate

C21H25ClN2O4 — CID 60599259

IUPACethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)CCNc1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C21H25ClN2O4/c1-3-28-21(26)14-17(15-7-5-4-6-8-15)24-20(25)11-12-23-18-13-16(22)9-10-19(18)27-2/h4-10,13,17,23H,3,11-12,14H2,1-2H3,(H,24,25)
InChIKeyFUDWQCDJSPYOEW-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.96
Rot. Bonds10

About ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate

ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate (PubChem CID 60599259) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate
PubChem CID60599259
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Nameethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)CCNc1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C21H25ClN2O4/c1-3-28-21(26)14-17(15-7-5-4-6-8-15)24-20(25)11-12-23-18-13-16(22)9-10-19(18)27-2/h4-10,13,17,23H,3,11-12,14H2,1-2H3,(H,24,25)
InChIKeyFUDWQCDJSPYOEW-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate 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

3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
CID 119367488
3-(5-chloro-2-methoxyanilino)-N-[(1S)-1-cyanopropyl]propanamide
CID 95286071
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
ethyl 4-[3-(5-chloro-2-methoxyanilino)propanoyl]piperazine-1-carboxylate
CID 47824668
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate (CID 60599259) is ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate is CCOC(=O)CC(NC(=O)CCNc1cc(Cl)ccc1OC)c1ccccc1.
What is the InChIKey of ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate?
The InChIKey is FUDWQCDJSPYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-3-28-21(26)14-17(15-7-5-4-6-8-15)24-20(25)11-12-23-18-13-16(22)9-10-19(18)27-2/h4-10,13,17,23H,3,11-12,14H2,1-2H3,(H,24,25).
What are the key properties of ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate?
ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate has a molecular weight of 404.89 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 60599259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).