2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide

C21H22N2O3 — CID 7087302

IUPAC2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C21H22N2O3/c1-14-19(16-9-5-6-10-17(16)23(14)2)20(24)21(25)22-13-12-15-8-4-7-11-18(15)26-3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyVHDWMJGSPZCAGA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.04
Rot. Bonds6

About 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide

2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 7087302) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
PubChem CID7087302
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C21H22N2O3/c1-14-19(16-9-5-6-10-17(16)23(14)2)20(24)21(25)22-13-12-15-8-4-7-11-18(15)26-3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyVHDWMJGSPZCAGA-UHFFFAOYSA-N
XLogP3.04
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-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

Related Compounds

2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
CID 16800790
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide (CID 7087302) is 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide is COc1ccccc1CCNC(=O)C(=O)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is VHDWMJGSPZCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-19(16-9-5-6-10-17(16)23(14)2)20(24)21(25)22-13-12-15-8-4-7-11-18(15)26-3/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide?
2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 7087302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).