5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one

C17H26N2O — CID 43496647

IUPAC5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
SMILESCCCNC(CC(C)(C)C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H26N2O/c1-5-8-18-15(11-17(2,3)4)12-6-7-14-13(9-12)10-16(20)19-14/h6-7,9,15,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyVQITZOLUPADAOT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.66
Rot. Bonds5

About 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one

5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one (PubChem CID 43496647) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
PubChem CID43496647
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
SMILESCCCNC(CC(C)(C)C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H26N2O/c1-5-8-18-15(11-17(2,3)4)12-6-7-14-13(9-12)10-16(20)19-14/h6-7,9,15,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyVQITZOLUPADAOT-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
CID 43496187
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 62277062
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one (CID 43496647) is 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one is CCCNC(CC(C)(C)C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one?
The InChIKey is VQITZOLUPADAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-8-18-15(11-17(2,3)4)12-6-7-14-13(9-12)10-16(20)19-14/h6-7,9,15,18H,5,8,10-11H2,1-4H3,(H,19,20).
What are the key properties of 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one?
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43496647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).