N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C20H20N2O4 — CID 10861113

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24)
InChIKeyFVZAOOBWDJAZSH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.25
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10861113) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10861113
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24)
InChIKeyFVZAOOBWDJAZSH-UHFFFAOYSA-N
XLogP3.25
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide 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 N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10861113) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is FVZAOOBWDJAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(13-8-9-17(25-2)18(10-13)26-3)22-20(24)19(23)15-11-21-16-7-5-4-6-14(15)16/h4-12,21H,1-3H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 352.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10861113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).