3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H39N3O3 — CID 26234054

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2
InChIInChI=1S/C29H39N3O3/c1-28(2)23-9-8-22(25(28)18-23)19-30-12-10-29(11-13-30)26(33)32(27(34)31(29)14-15-35-3)24-16-20-6-4-5-7-21(20)17-24/h4-8,23-25H,9-19H2,1-3H3/t23-,25-/m0/s1
InChIKeyYLFHBFBLJBSSSJ-ZCYQVOJMSA-N
MW477.65 g/mol
LogP3.89
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26234054) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26234054
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2
InChIInChI=1S/C29H39N3O3/c1-28(2)23-9-8-22(25(28)18-23)19-30-12-10-29(11-13-30)26(33)32(27(34)31(29)14-15-35-3)24-16-20-6-4-5-7-21(20)17-24/h4-8,23-25H,9-19H2,1-3H3/t23-,25-/m0/s1
InChIKeyYLFHBFBLJBSSSJ-ZCYQVOJMSA-N
XLogP3.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139409
(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42365603
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
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137020
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
3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224799
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
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215055
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
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
8-(1H-benzimidazol-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230632

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26234054) is 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YLFHBFBLJBSSSJ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-28(2)23-9-8-22(25(28)18-23)19-30-12-10-29(11-13-30)26(33)32(27(34)31(29)14-15-35-3)24-16-20-6-4-5-7-21(20)17-24/h4-8,23-25H,9-19H2,1-3H3/t23-,25-/m0/s1.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 477.65 g/mol, XLogP of 3.89, 6 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)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26234054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).