3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H23N3O3 — CID 4884583

IUPAC3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H23N3O3/c28-19(15-27-22(29)24(26-23(27)30)13-7-2-8-14-24)20-17-11-5-6-12-18(17)25-21(20)16-9-3-1-4-10-16/h1,3-6,9-12,25H,2,7-8,13-15H2,(H,26,30)
InChIKeyORPJWPOTFFMKCM-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.27
Rot. Bonds4

About 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4884583) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4884583
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H23N3O3/c28-19(15-27-22(29)24(26-23(27)30)13-7-2-8-14-24)20-17-11-5-6-12-18(17)25-21(20)16-9-3-1-4-10-16/h1,3-6,9-12,25H,2,7-8,13-15H2,(H,26,30)
InChIKeyORPJWPOTFFMKCM-UHFFFAOYSA-N
XLogP4.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 42984126
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 41047442
(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2703375
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51113723
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4884583) is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ORPJWPOTFFMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-19(15-27-22(29)24(26-23(27)30)13-7-2-8-14-24)20-17-11-5-6-12-18(17)25-21(20)16-9-3-1-4-10-16/h1,3-6,9-12,25H,2,7-8,13-15H2,(H,26,30).
What are the key properties of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4884583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).