1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one

C15H22N2O2 — CID 107506347

IUPAC1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one
SMILESCNC(COC)CN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2)12-7-5-6-8-13(12)17(14(15)18)9-11(16-3)10-19-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyJKJVJPVPAURYLA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.55
Rot. Bonds5

About 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one

1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one (PubChem CID 107506347) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one
PubChem CID107506347
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one
SMILESCNC(COC)CN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2)12-7-5-6-8-13(12)17(14(15)18)9-11(16-3)10-19-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyJKJVJPVPAURYLA-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropyl)-3,3-dimethylindol-2-one
CID 66707162
1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one
CID 80500352
1-(3-chloro-2-methylpropyl)-3,3-dimethylindol-2-one
CID 80500181
1-[3-methoxy-2-(methylamino)propyl]-6-methylpyridin-2-one
CID 107506125
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638
1-but-3-ynyl-3,3-dimethylindol-2-one
CID 80500280
3,3-dimethyl-1-[(2-methyloxiran-2-yl)methyl]indol-2-one
CID 87852847
1-(5-bromo-3-methylpentyl)-3,3-dimethylindol-2-one
CID 80500132
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
CID 107508704
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one (CID 107506347) is 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one is CNC(COC)CN1C(=O)C(C)(C)c2ccccc21.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one?
The InChIKey is JKJVJPVPAURYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)12-7-5-6-8-13(12)17(14(15)18)9-11(16-3)10-19-4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one?
1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 107506347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).