2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide

C13H14N2O4 — CID 102396716

IUPAC2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide
SMILESCOc1cc(OC)c2c(ccn2C)c1C(=O)C(N)=O
InChIInChI=1S/C13H14N2O4/c1-15-5-4-7-10(12(16)13(14)17)8(18-2)6-9(19-3)11(7)15/h4-6H,1-3H3,(H2,14,17)
InChIKeyMDCISCPPODZLIQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.86
Rot. Bonds4

About 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide

2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide (PubChem CID 102396716) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide
PubChem CID102396716
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide
SMILESCOc1cc(OC)c2c(ccn2C)c1C(=O)C(N)=O
InChIInChI=1S/C13H14N2O4/c1-15-5-4-7-10(12(16)13(14)17)8(18-2)6-9(19-3)11(7)15/h4-6H,1-3H3,(H2,14,17)
InChIKeyMDCISCPPODZLIQ-UHFFFAOYSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
5,6,7-trimethoxy-1-methylindole
CID 141308126
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
CID 82386450
7-methoxy-1-methyl-4-pyrimidin-4-ylindole
CID 175774096
[(6-methoxy-1-methylindol-5-yl)amino]urea
CID 131842642
3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117430716
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide (CID 102396716) is 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide is COc1cc(OC)c2c(ccn2C)c1C(=O)C(N)=O.
What is the InChIKey of 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide?
The InChIKey is MDCISCPPODZLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-5-4-7-10(12(16)13(14)17)8(18-2)6-9(19-3)11(7)15/h4-6H,1-3H3,(H2,14,17).
What are the key properties of 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide?
2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide has a molecular weight of 262.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 102396716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).