5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one

C14H21N3O2 — CID 106140691

IUPAC5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(CCO)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-14(2,3-4-18)8-16-12-7-11-9(5-10(12)15)6-13(19)17-11/h5,7,16,18H,3-4,6,8,15H2,1-2H3,(H,17,19)
InChIKeyZOLFMYYPVPVUIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds5

About 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one (PubChem CID 106140691) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
PubChem CID106140691
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)(CCO)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-14(2,3-4-18)8-16-12-7-11-9(5-10(12)15)6-13(19)17-11/h5,7,16,18H,3-4,6,8,15H2,1-2H3,(H,17,19)
InChIKeyZOLFMYYPVPVUIC-UHFFFAOYSA-N
XLogP1.58
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-diamino-2,3-dihydro-1H-indol-2-one
CID 22162321
N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide
CID 122184170
5,6-Diamino-3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one
CID 59300746
5,6-Diamino-3,3-dimethyl-1-(3,3,3-trifluoropropyl)indol-2-one
CID 59300975
5,6-Diamino-3,3-dimethyl-1-(4,4,4-trifluorobutyl)indol-2-one
CID 59300979
5-Amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one
CID 43451655
5-Amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43451681
5-Amino-6-[2-(2-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43451691
5-Amino-6-(2,2,2-trifluoroethylamino)-1,3-dihydroindol-2-one
CID 43451695
5-Amino-6-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43451700
5-Amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43451704
5-Amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43451715

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one (CID 106140691) is 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one is CC(C)(CCO)CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ZOLFMYYPVPVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3-4-18)8-16-12-7-11-9(5-10(12)15)6-13(19)17-11/h5,7,16,18H,3-4,6,8,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106140691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).