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

C28H35N3O2 — CID 26227457

IUPAC8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O
InChIInChI=1S/C28H35N3O2/c1-21(2)20-30-26(32)28(31(27(30)33)15-12-22-8-4-3-5-9-22)13-16-29(17-14-28)25-18-23-10-6-7-11-24(23)19-25/h3-11,21,25H,12-20H2,1-2H3
InChIKeyVMORVIPTPRNCCJ-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.15
Rot. Bonds6

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

8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26227457) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26227457
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O
InChIInChI=1S/C28H35N3O2/c1-21(2)20-30-26(32)28(31(27(30)33)15-12-22-8-4-3-5-9-22)13-16-29(17-14-28)25-18-23-10-6-7-11-24(23)19-25/h3-11,21,25H,12-20H2,1-2H3
InChIKeyVMORVIPTPRNCCJ-UHFFFAOYSA-N
XLogP4.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
8-(3-methylbutyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109321
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
2-[2,4-dioxo-1-(2-phenylethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 45164830
8-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143804
8-(1H-indol-2-ylmethyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228797
1-butyl-3-(2-methylpropyl)-8-(6-phenylhexyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 23109302
3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224799
3-[3-(dimethylamino)propyl]-1-(2-phenylethyl)-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228838
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142333
3-ethyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220331
1-(2-methoxyethyl)-3-(2-phenylethyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45159376

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 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) is 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VMORVIPTPRNCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-21(2)20-30-26(32)28(31(27(30)33)15-12-22-8-4-3-5-9-22)13-16-29(17-14-28)25-18-23-10-6-7-11-24(23)19-25/h3-11,21,25H,12-20H2,1-2H3.
What are the key properties of 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 445.61 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26227457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).