5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one

C17H19N3O — CID 60905011

IUPAC5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCCc1ccccc1)NC(=O)C2
InChIInChI=1S/C17H19N3O/c18-14-9-13-10-17(21)20-15(13)11-16(14)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10,18H2,(H,20,21)
InChIKeyGFZFZBQKNZJWKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.81
Rot. Bonds5

About 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one

5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one (PubChem CID 60905011) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
PubChem CID60905011
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCCc1ccccc1)NC(=O)C2
InChIInChI=1S/C17H19N3O/c18-14-9-13-10-17(21)20-15(13)11-16(14)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10,18H2,(H,20,21)
InChIKeyGFZFZBQKNZJWKS-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
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-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 106324761

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one (CID 60905011) is 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCCCc1ccccc1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one?
The InChIKey is GFZFZBQKNZJWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-9-13-10-17(21)20-15(13)11-16(14)19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10,18H2,(H,20,21).
What are the key properties of 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one?
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 60905011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).