2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide

C18H24N2O3 — CID 168946827

IUPAC2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
SMILESCOc1cc(C)c2[nH]cc(C(=O)C(=O)N(C(C)C)C(C)C)c2c1
InChIInChI=1S/C18H24N2O3/c1-10(2)20(11(3)4)18(22)17(21)15-9-19-16-12(5)7-13(23-6)8-14(15)16/h7-11,19H,1-6H3
InChIKeyHYJKYOXEMXXWBW-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.31
Rot. Bonds5

About 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide

2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide (PubChem CID 168946827) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
PubChem CID168946827
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
SMILESCOc1cc(C)c2[nH]cc(C(=O)C(=O)N(C(C)C)C(C)C)c2c1
InChIInChI=1S/C18H24N2O3/c1-10(2)20(11(3)4)18(22)17(21)15-9-19-16-12(5)7-13(23-6)8-14(15)16/h7-11,19H,1-6H3
InChIKeyHYJKYOXEMXXWBW-UHFFFAOYSA-N
XLogP3.31
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 168946806
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid
CID 82246146
3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
CID 84638582
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
2-(6,7-difluoro-1H-indol-3-yl)-N-methyl-2-oxo-N-propan-2-ylacetamide
CID 168946807
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide (CID 168946827) is 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide is COc1cc(C)c2[nH]cc(C(=O)C(=O)N(C(C)C)C(C)C)c2c1.
What is the InChIKey of 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The InChIKey is HYJKYOXEMXXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10(2)20(11(3)4)18(22)17(21)15-9-19-16-12(5)7-13(23-6)8-14(15)16/h7-11,19H,1-6H3.
What are the key properties of 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 168946827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).