4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one

C16H24N2O7 — CID 91097076

IUPAC4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
SMILESCCC(O)(O)N(CC(O)(O)c1cccc2c1CC(=O)N2)C(O)(O)CC
InChIInChI=1S/C16H24N2O7/c1-3-15(22,23)18(16(24,25)4-2)9-14(20,21)11-6-5-7-12-10(11)8-13(19)17-12/h5-7,20-25H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyBGOSBFXODUUECA-UHFFFAOYSA-N
MW356.38 g/mol
LogP-1.28
Rot. Bonds7

About 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one

4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one (PubChem CID 91097076) has the molecular formula C16H24N2O7 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
PubChem CID91097076
Molecular FormulaC16H24N2O7
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
SMILESCCC(O)(O)N(CC(O)(O)c1cccc2c1CC(=O)N2)C(O)(O)CC
InChIInChI=1S/C16H24N2O7/c1-3-15(22,23)18(16(24,25)4-2)9-14(20,21)11-6-5-7-12-10(11)8-13(19)17-12/h5-7,20-25H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyBGOSBFXODUUECA-UHFFFAOYSA-N
XLogP-1.28
TPSA153.72 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 5-1.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
CID 91431207
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
6,7-diamino-4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-5-hydroxy-1,3-dihydroindol-2-one
CID 91320534
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
CID 46219473
4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
CID 11449569
4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
CID 91279377
3-(2-oxo-1,3-dihydroindol-4-yl)butanal
CID 117291451
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one (CID 91097076) is 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one is CCC(O)(O)N(CC(O)(O)c1cccc2c1CC(=O)N2)C(O)(O)CC.
What is the InChIKey of 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
The InChIKey is BGOSBFXODUUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7/c1-3-15(22,23)18(16(24,25)4-2)9-14(20,21)11-6-5-7-12-10(11)8-13(19)17-12/h5-7,20-25H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one?
4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one has a molecular weight of 356.38 g/mol, XLogP of -1.28, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91097076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).