3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H21N3O3 — CID 2455095

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O3/c22-15(20-11-8-13-6-2-3-7-14(13)20)12-21-16(23)18(19-17(21)24)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24)
InChIKeyHMTVYUMKEOPRCV-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.83
Rot. Bonds2

About 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2455095) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2455095
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O3/c22-15(20-11-8-13-6-2-3-7-14(13)20)12-21-16(23)18(19-17(21)24)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24)
InChIKeyHMTVYUMKEOPRCV-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2455095) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HMTVYUMKEOPRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-15(20-11-8-13-6-2-3-7-14(13)20)12-21-16(23)18(19-17(21)24)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24).
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2455095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).