N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide

C13H16N2O3 — CID 103868642

IUPACN-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-13(2,3)18-15-12(17)8-4-5-10-9(6-8)7-11(16)14-10/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIGYKGMLCGVCFMT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.64
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 103868642) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID103868642
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-13(2,3)18-15-12(17)8-4-5-10-9(6-8)7-11(16)14-10/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIGYKGMLCGVCFMT-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103901262
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 103868642) is N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide is CC(C)(C)ONC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is IGYKGMLCGVCFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)18-15-12(17)8-4-5-10-9(6-8)7-11(16)14-10/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103868642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).