2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

C13H14N2O3 — CID 166169676

IUPAC2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cccc2[nH]cc(C(=O)C(=O)N(C)C)c12
InChIInChI=1S/C13H14N2O3/c1-15(2)13(17)12(16)8-7-14-9-5-4-6-10(18-3)11(8)9/h4-7,14H,1-3H3
InChIKeyDIIIMAZTKNTYQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide (PubChem CID 166169676) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
PubChem CID166169676
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cccc2[nH]cc(C(=O)C(=O)N(C)C)c12
InChIInChI=1S/C13H14N2O3/c1-15(2)13(17)12(16)8-7-14-9-5-4-6-10(18-3)11(8)9/h4-7,14H,1-3H3
InChIKeyDIIIMAZTKNTYQO-UHFFFAOYSA-N
XLogP1.45
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-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

methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane
CID 178015107
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
CID 135742376
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide (CID 166169676) is 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide is COc1cccc2[nH]cc(C(=O)C(=O)N(C)C)c12.
What is the InChIKey of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide?
The InChIKey is DIIIMAZTKNTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15(2)13(17)12(16)8-7-14-9-5-4-6-10(18-3)11(8)9/h4-7,14H,1-3H3.
What are the key properties of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide?
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide has a molecular weight of 246.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 166169676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).