3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one

C13H18N2O2 — CID 114997955

IUPAC3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCOCCCNC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(9)15-13(16)12(10)14-7-4-8-17-2/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyULJSYIQNZOFFOU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds5

About 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one

3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 114997955) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one
PubChem CID114997955
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCOCCCNC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(9)15-13(16)12(10)14-7-4-8-17-2/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyULJSYIQNZOFFOU-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 114990077
3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 114997957
3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 82236321
3-(3-methoxypropylamino)-1,3-dihydroindol-2-one
CID 43205039
N-methyl-2-[(7-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114997880
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206912
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
CID 43190199
11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 14502019
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one (CID 114997955) is 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one is COCCCNC1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is ULJSYIQNZOFFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(9)15-13(16)12(10)14-7-4-8-17-2/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one?
3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114997955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).