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

C14H20N4O2 — CID 106275365

IUPAC3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H20N4O2/c1-14(2,13(20)16-3)7-17-11-6-10-8(4-9(11)15)5-12(19)18-10/h4,6,17H,5,7,15H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySUHXHASPDHKHHR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.95
Rot. Bonds4

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

3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275365) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275365
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H20N4O2/c1-14(2,13(20)16-3)7-17-11-6-10-8(4-9(11)15)5-12(19)18-10/h4,6,17H,5,7,15H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySUHXHASPDHKHHR-UHFFFAOYSA-N
XLogP0.95
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.95
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]-2,2-dimethylpropanamide
CID 106275147
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-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide (CID 106275365) is 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is SUHXHASPDHKHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,13(20)16-3)7-17-11-6-10-8(4-9(11)15)5-12(19)18-10/h4,6,17H,5,7,15H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 0.95, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).