3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C30H33N3O4 — CID 26138148

IUPAC3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)cc1O
InChIInChI=1S/C30H33N3O4/c1-37-27-13-12-25(20-26(27)34)21-31-18-15-30(16-19-31)28(35)32(22-24-10-6-3-7-11-24)29(36)33(30)17-14-23-8-4-2-5-9-23/h2-13,20,34H,14-19,21-22H2,1H3
InChIKeyIIMPUGGREIYCON-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.44
Rot. Bonds8

About 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26138148) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26138148
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)cc1O
InChIInChI=1S/C30H33N3O4/c1-37-27-13-12-25(20-26(27)34)21-31-18-15-30(16-19-31)28(35)32(22-24-10-6-3-7-11-24)29(36)33(30)17-14-23-8-4-2-5-9-23/h2-13,20,34H,14-19,21-22H2,1H3
InChIKeyIIMPUGGREIYCON-UHFFFAOYSA-N
XLogP4.44
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219539
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
methyl 4-[[3-(2-amino-2-oxoethyl)-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]benzoate
CID 26223094
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
8-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143799
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142333
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219741
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140364
3-benzyl-8-[(5-chloro-2-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133467
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
8-[(3-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133409

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26138148) is 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)cc1O.
What is the InChIKey of 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IIMPUGGREIYCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-37-27-13-12-25(20-26(27)34)21-31-18-15-30(16-19-31)28(35)32(22-24-10-6-3-7-11-24)29(36)33(30)17-14-23-8-4-2-5-9-23/h2-13,20,34H,14-19,21-22H2,1H3.
What are the key properties of 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 499.61 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).