3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C20H25N3O3 — CID 4790412

IUPAC3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-14-12-15-8-4-5-9-16(15)23(14)17(24)13-22-18(25)20(21-19(22)26)10-6-2-3-7-11-20/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,21,26)
InChIKeyBBDPLQAXBFVIHJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.61
Rot. Bonds2

About 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 4790412) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID4790412
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-14-12-15-8-4-5-9-16(15)23(14)17(24)13-22-18(25)20(21-19(22)26)10-6-2-3-7-11-20/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,21,26)
InChIKeyBBDPLQAXBFVIHJ-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4878925
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822048
8-(2-methylbutan-2-yl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112774001
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539555
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
3'-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55356601
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209862
(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2445472
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9453120
5,5-bis(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41236434
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9394991
8-ethyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7531576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 4790412) is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is BBDPLQAXBFVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-12-15-8-4-5-9-16(15)23(14)17(24)13-22-18(25)20(21-19(22)26)10-6-2-3-7-11-20/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,21,26).
What are the key properties of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 4790412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).