5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one

C13H18N2O2 — CID 115135114

IUPAC5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(CO)CNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-13(2,8-16)7-14-10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyMAUHZOQCSLSOME-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds4

About 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one

5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one (PubChem CID 115135114) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
PubChem CID115135114
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(CO)CNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-13(2,8-16)7-14-10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyMAUHZOQCSLSOME-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-4H-1,4-benzothiazin-3-one
CID 81411832
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one (CID 115135114) is 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one is CC(C)(CO)CNc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is MAUHZOQCSLSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,8-16)7-14-10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one?
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115135114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).