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

C16H24N2O3 — CID 91431207

IUPAC4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)CC(O)(O)c1cccc2c1CC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-3-8-18(9-4-2)11-16(20,21)13-6-5-7-14-12(13)10-15(19)17-14/h5-7,20-21H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyZZAHGRYGUAYRSR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.44
Rot. Bonds7

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

4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one (PubChem CID 91431207) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
PubChem CID91431207
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)CC(O)(O)c1cccc2c1CC(=O)N2
InChIInChI=1S/C16H24N2O3/c1-3-8-18(9-4-2)11-16(20,21)13-6-5-7-14-12(13)10-15(19)17-14/h5-7,20-21H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyZZAHGRYGUAYRSR-UHFFFAOYSA-N
XLogP1.44
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
CID 91097076
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
CID 11449569
methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
CID 10757921
4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
CID 46219473
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
2-(dipropylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
CID 70690960
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189
4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one
CID 58994666

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one (CID 91431207) is 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one is CCCN(CCC)CC(O)(O)c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZZAHGRYGUAYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-18(9-4-2)11-16(20,21)13-6-5-7-14-12(13)10-15(19)17-14/h5-7,20-21H,3-4,8-11H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91431207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).