4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one

C16H24N2O — CID 46219473

IUPAC4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
SMILES[2H]C([2H])(CN(C([2H])([2H])CC)C([2H])([2H])CC)c1cccc2c1CC(=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)/i8D2,9D2,10D2
InChIKeyUHSKFQJFRQCDBE-ODBROWPQSA-N
MW266.42 g/mol
LogP2.85
Rot. Bonds7

About 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one

4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one (PubChem CID 46219473) has the molecular formula C16H24N2O and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
PubChem CID46219473
Molecular FormulaC16H24N2O
Molecular Weight266.42 g/mol
Exact Mass266.23
IUPAC Name4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one
SMILES[2H]C([2H])(CN(C([2H])([2H])CC)C([2H])([2H])CC)c1cccc2c1CC(=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)/i8D2,9D2,10D2
InChIKeyUHSKFQJFRQCDBE-ODBROWPQSA-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 ≤ 500266.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one (CID 46219473) is 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one is [2H]C([2H])(CN(C([2H])([2H])CC)C([2H])([2H])CC)c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one?
The InChIKey is UHSKFQJFRQCDBE-ODBROWPQSA-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)/i8D2,9D2,10D2.
What are the key properties of 4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one?
4-[2-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one has a molecular weight of 266.42 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-[bis(1,1-dideuteriopropyl)amino]-1,1-dideuterioethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 46219473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).