4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one

C16H24N2O — CID 5095

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IUPAC4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChIKeyUHSKFQJFRQCDBE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds7

About 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one

4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 5095) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID5095
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChIKeyUHSKFQJFRQCDBE-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
DR-4004
CID 9843179
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one (CID 5095) is 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one is CCCN(CCC)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is UHSKFQJFRQCDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one?
4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 5095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).