2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide

C16H20N2O3 — CID 113208428

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)NCCC(C)C)c2c1
InChIInChI=1S/C16H20N2O3/c1-10(2)6-7-17-16(20)15(19)13-9-18-14-5-4-11(21-3)8-12(13)14/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20)
InChIKeyRJQFMBXVHCXKMK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.52
Rot. Bonds6

About 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide

2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide (PubChem CID 113208428) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
PubChem CID113208428
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)NCCC(C)C)c2c1
InChIInChI=1S/C16H20N2O3/c1-10(2)6-7-17-16(20)15(19)13-9-18-14-5-4-11(21-3)8-12(13)14/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20)
InChIKeyRJQFMBXVHCXKMK-UHFFFAOYSA-N
XLogP2.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
2-(6-methoxy-1H-indol-3-yl)-N-(2-methylsulfonylethyl)-2-oxoacetamide
CID 45274893
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208457
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide (CID 113208428) is 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide is COc1ccc2[nH]cc(C(=O)C(=O)NCCC(C)C)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The InChIKey is RJQFMBXVHCXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)6-7-17-16(20)15(19)13-9-18-14-5-4-11(21-3)8-12(13)14/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide has a molecular weight of 288.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide is sourced from PubChem (CID 113208428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).