5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one

C15H20N2O2 — CID 116916336

IUPAC5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)C(C)(C)CCN)ccc21
InChIInChI=1S/C15H20N2O2/c1-15(2,6-7-16)14(19)10-4-5-12-11(8-10)9-13(18)17(12)3/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyIQJHQHGFLJMEMU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds4

About 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one

5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one (PubChem CID 116916336) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
PubChem CID116916336
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)C(C)(C)CCN)ccc21
InChIInChI=1S/C15H20N2O2/c1-15(2,6-7-16)14(19)10-4-5-12-11(8-10)9-13(18)17(12)3/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyIQJHQHGFLJMEMU-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one
CID 82300689
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one (CID 116916336) is 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)C(C)(C)CCN)ccc21.
What is the InChIKey of 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one?
The InChIKey is IQJHQHGFLJMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,6-7-16)14(19)10-4-5-12-11(8-10)9-13(18)17(12)3/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one?
5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116916336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).