3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide

C13H18N4O2 — CID 106275147

IUPAC3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cc2c(cc1N)CC(=O)N2)C(N)=O
InChIInChI=1S/C13H18N4O2/c1-13(2,12(15)19)6-16-10-5-9-7(3-8(10)14)4-11(18)17-9/h3,5,16H,4,6,14H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyZIWCHTRQABQRRQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.69
Rot. Bonds4

About 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide

3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106275147) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
PubChem CID106275147
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cc2c(cc1N)CC(=O)N2)C(N)=O
InChIInChI=1S/C13H18N4O2/c1-13(2,12(15)19)6-16-10-5-9-7(3-8(10)14)4-11(18)17-9/h3,5,16H,4,6,14H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyZIWCHTRQABQRRQ-UHFFFAOYSA-N
XLogP0.69
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.69
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

3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
CID 106275365
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide (CID 106275147) is 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1cc2c(cc1N)CC(=O)N2)C(N)=O.
What is the InChIKey of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZIWCHTRQABQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,12(15)19)6-16-10-5-9-7(3-8(10)14)4-11(18)17-9/h3,5,16H,4,6,14H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide?
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).