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

C13H19N3O2 — CID 43383163

IUPAC5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
SMILESCCOCCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H19N3O2/c1-2-18-5-3-4-15-12-8-11-9(6-10(12)14)7-13(17)16-11/h6,8,15H,2-5,7,14H2,1H3,(H,16,17)
InChIKeyTXCLBVBFRXBZKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds6

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

5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one (PubChem CID 43383163) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
PubChem CID43383163
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
SMILESCCOCCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H19N3O2/c1-2-18-5-3-4-15-12-8-11-9(6-10(12)14)7-13(17)16-11/h6,8,15H,2-5,7,14H2,1H3,(H,16,17)
InChIKeyTXCLBVBFRXBZKS-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
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-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one (CID 43383163) is 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one is CCOCCCNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one?
The InChIKey is TXCLBVBFRXBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-5-3-4-15-12-8-11-9(6-10(12)14)7-13(17)16-11/h6,8,15H,2-5,7,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one?
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).