3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one

C13H18N2O3 — CID 63007655

IUPAC3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCOCCCN(C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C13H18N2O3/c1-15(6-3-7-18-2)9-4-5-10-11(8-9)14-13(17)12(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyONDJJKYAXIJTOP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds5

About 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one

3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 63007655) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID63007655
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCOCCCN(C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C13H18N2O3/c1-15(6-3-7-18-2)9-4-5-10-11(8-9)14-13(17)12(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyONDJJKYAXIJTOP-UHFFFAOYSA-N
XLogP1.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 80758147
3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 114230298
6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586692
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724
6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 107481112
6-(N-ethyl-3-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61075160
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
2-chloro-4-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63008083

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one (CID 63007655) is 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one is COCCCN(C)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ONDJJKYAXIJTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(6-3-7-18-2)9-4-5-10-11(8-9)14-13(17)12(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63007655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).