ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate

C21H26N2O5 — CID 122146089

IUPACethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NC(=O)CCc1ccc(OC)c(OC)c1)c1cccnc1
InChIInChI=1S/C21H26N2O5/c1-5-28-20(25)21(2,16-7-6-12-22-14-16)23-19(24)11-9-15-8-10-17(26-3)18(13-15)27-4/h6-8,10,12-14H,5,9,11H2,1-4H3,(H,23,24)
InChIKeyFAYMBBSISCEPFY-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.63
Rot. Bonds9

About ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate

ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate (PubChem CID 122146089) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate
PubChem CID122146089
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NC(=O)CCc1ccc(OC)c(OC)c1)c1cccnc1
InChIInChI=1S/C21H26N2O5/c1-5-28-20(25)21(2,16-7-6-12-22-14-16)23-19(24)11-9-15-8-10-17(26-3)18(13-15)27-4/h6-8,10,12-14H,5,9,11H2,1-4H3,(H,23,24)
InChIKeyFAYMBBSISCEPFY-UHFFFAOYSA-N
XLogP2.63
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate 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

N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113044288
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413378
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate (CID 122146089) is ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate is CCOC(=O)C(C)(NC(=O)CCc1ccc(OC)c(OC)c1)c1cccnc1.
What is the InChIKey of ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate?
The InChIKey is FAYMBBSISCEPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-28-20(25)21(2,16-7-6-12-22-14-16)23-19(24)11-9-15-8-10-17(26-3)18(13-15)27-4/h6-8,10,12-14H,5,9,11H2,1-4H3,(H,23,24).
What are the key properties of ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate?
ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate has a molecular weight of 386.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 122146089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).