5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one

C14H21N3O2 — CID 65103163

IUPAC5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
SMILESCCC(O)(CC)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-3-14(19,4-2)8-16-12-7-11-9(5-10(12)15)6-13(18)17-11/h5,7,16,19H,3-4,6,8,15H2,1-2H3,(H,17,18)
InChIKeyVJCJOOAEVRQIJQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds5

About 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one (PubChem CID 65103163) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
PubChem CID65103163
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
SMILESCCC(O)(CC)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-3-14(19,4-2)8-16-12-7-11-9(5-10(12)15)6-13(18)17-11/h5,7,16,19H,3-4,6,8,15H2,1-2H3,(H,17,18)
InChIKeyVJCJOOAEVRQIJQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
CID 106275365
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
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-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one (CID 65103163) is 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one is CCC(O)(CC)CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is VJCJOOAEVRQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(19,4-2)8-16-12-7-11-9(5-10(12)15)6-13(18)17-11/h5,7,16,19H,3-4,6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 65103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).