[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C21H22N2O4 — CID 2464912

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-9-6-15(7-10-17)12-23-20(24)14-27-21(25)11-8-16-13-22-19-5-3-2-4-18(16)19/h2-7,9-10,13,22H,8,11-12,14H2,1H3,(H,23,24)
InChIKeyPLFSWPDJKQUKTO-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.97
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2464912) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2464912
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-9-6-15(7-10-17)12-23-20(24)14-27-21(25)11-8-16-13-22-19-5-3-2-4-18(16)19/h2-7,9-10,13,22H,8,11-12,14H2,1H3,(H,23,24)
InChIKeyPLFSWPDJKQUKTO-UHFFFAOYSA-N
XLogP2.97
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)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-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2464912) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is COc1ccc(CNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is PLFSWPDJKQUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-9-6-15(7-10-17)12-23-20(24)14-27-21(25)11-8-16-13-22-19-5-3-2-4-18(16)19/h2-7,9-10,13,22H,8,11-12,14H2,1H3,(H,23,24).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 366.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2464912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).