2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C20H20N2O3 — CID 7087278

IUPAC2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-13-18(16-6-4-5-7-17(16)22(13)2)19(23)20(24)21-12-14-8-10-15(25-3)11-9-14/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyIFWAJDOGEYDHQO-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.99
Rot. Bonds5

About 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 7087278) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID7087278
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-13-18(16-6-4-5-7-17(16)22(13)2)19(23)20(24)21-12-14-8-10-15(25-3)11-9-14/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyIFWAJDOGEYDHQO-UHFFFAOYSA-N
XLogP2.99
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.99
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-[(4-methoxyphenyl)methyl]-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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
CID 16800790
2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 7087302
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
CID 66667583
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
butyl 4-[[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]amino]benzoate
CID 7087358
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 7087278) is 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is IFWAJDOGEYDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-18(16-6-4-5-7-17(16)22(13)2)19(23)20(24)21-12-14-8-10-15(25-3)11-9-14/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 336.39 g/mol, XLogP of 2.99, 5 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-[(4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 7087278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).