6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C15H22N2O2 — CID 55010245

IUPAC6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC(N(C)c1ccc2c(c1)NC(=O)C2O)C(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-9(15(2,3)4)17(5)10-6-7-11-12(8-10)16-14(19)13(11)18/h6-9,13,18H,1-5H3,(H,16,19)
InChIKeyVUCBDJWYLUURPL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 55010245) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID55010245
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC(N(C)c1ccc2c(c1)NC(=O)C2O)C(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-9(15(2,3)4)17(5)10-6-7-11-12(8-10)16-14(19)13(11)18/h6-9,13,18H,1-5H3,(H,16,19)
InChIKeyVUCBDJWYLUURPL-UHFFFAOYSA-N
XLogP2.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 55010245) is 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CC(N(C)c1ccc2c(c1)NC(=O)C2O)C(C)(C)C.
What is the InChIKey of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is VUCBDJWYLUURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(15(2,3)4)17(5)10-6-7-11-12(8-10)16-14(19)13(11)18/h6-9,13,18H,1-5H3,(H,16,19).
What are the key properties of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 55010245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).