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

C28H32N4O2 — CID 26225516

IUPAC3-(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
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C28H32N4O2/c1-3-31-27(34)32(23-16-20-8-4-5-9-21(20)17-23)26(33)28(31)12-14-30(15-13-28)19-22-18-29(2)25-11-7-6-10-24(22)25/h4-11,18,23H,3,12-17,19H2,1-2H3
InChIKeyLFAOWZNQSRUUCP-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.96
Rot. Bonds4

About 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

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 (PubChem CID 26225516) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID26225516
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name3-(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
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C28H32N4O2/c1-3-31-27(34)32(23-16-20-8-4-5-9-21(20)17-23)26(33)28(31)12-14-30(15-13-28)19-22-18-29(2)25-11-7-6-10-24(22)25/h4-11,18,23H,3,12-17,19H2,1-2H3
InChIKeyLFAOWZNQSRUUCP-UHFFFAOYSA-N
XLogP3.96
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 26140425
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CID 26228809
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CID 26224701
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2.
What is the InChIKey of 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?
The InChIKey is LFAOWZNQSRUUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-3-31-27(34)32(23-16-20-8-4-5-9-21(20)17-23)26(33)28(31)12-14-30(15-13-28)19-22-18-29(2)25-11-7-6-10-24(22)25/h4-11,18,23H,3,12-17,19H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 456.59 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 26225516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).