5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one

C17H19N3O — CID 106899271

IUPAC5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCCc1ccc(CNc2cc3c(cc2N)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O/c1-2-11-3-5-12(6-4-11)10-19-16-9-15-13(7-14(16)18)8-17(21)20-15/h3-7,9,19H,2,8,10,18H2,1H3,(H,20,21)
InChIKeyFULQLUSKMCQFQO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.94
Rot. Bonds4

About 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 106899271) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID106899271
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCCc1ccc(CNc2cc3c(cc2N)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O/c1-2-11-3-5-12(6-4-11)10-19-16-9-15-13(7-14(16)18)8-17(21)20-15/h3-7,9,19H,2,8,10,18H2,1H3,(H,20,21)
InChIKeyFULQLUSKMCQFQO-UHFFFAOYSA-N
XLogP2.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-(pyridin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451711
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62057206
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 54982616

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one (CID 106899271) is 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one is CCc1ccc(CNc2cc3c(cc2N)CC(=O)N3)cc1.
What is the InChIKey of 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is FULQLUSKMCQFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-11-3-5-12(6-4-11)10-19-16-9-15-13(7-14(16)18)8-17(21)20-15/h3-7,9,19H,2,8,10,18H2,1H3,(H,20,21).
What are the key properties of 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106899271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).