3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H31N3O2 — CID 26224799

IUPAC3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C27H31N3O2/c1-2-29-26(32)30(24-17-21-9-5-6-10-22(21)18-24)25(31)27(29)11-13-28(14-12-27)23-15-19-7-3-4-8-20(19)16-23/h3-10,23-24H,2,11-18H2,1H3
InChIKeyNHUPYXIRKHFWMU-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.44
Rot. Bonds3

About 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26224799) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26224799
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C27H31N3O2/c1-2-29-26(32)30(24-17-21-9-5-6-10-22(21)18-24)25(31)27(29)11-13-28(14-12-27)23-15-19-7-3-4-8-20(19)16-23/h3-10,23-24H,2,11-18H2,1H3
InChIKeyNHUPYXIRKHFWMU-UHFFFAOYSA-N
XLogP3.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[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

Related Compounds

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225516
3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(thian-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138453
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methylbenzimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228809
3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140425
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224701
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227578
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133781
8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227457
8-(2,3-dihydro-1H-inden-2-yl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221523
1-ethyl-3-(3-pyridin-3-ylpropyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160672
8-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225829
N-[4-[[3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]acetamide
CID 26134189

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26224799) is 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2.
What is the InChIKey of 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NHUPYXIRKHFWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-2-29-26(32)30(24-17-21-9-5-6-10-22(21)18-24)25(31)27(29)11-13-28(14-12-27)23-15-19-7-3-4-8-20(19)16-23/h3-10,23-24H,2,11-18H2,1H3.
What are the key properties of 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 429.56 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26224799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).