8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H29N3O4 — CID 26227109

IUPAC8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(O)cc2)CC3)cc1
InChIInChI=1S/C24H29N3O4/c1-25-22(29)24(12-15-26(16-13-24)17-19-3-7-20(28)8-4-19)27(23(25)30)14-11-18-5-9-21(31-2)10-6-18/h3-10,28H,11-17H2,1-2H3
InChIKeyOQURAQOPHNFWKZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.87
Rot. Bonds6

About 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26227109) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26227109
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(O)cc2)CC3)cc1
InChIInChI=1S/C24H29N3O4/c1-25-22(29)24(12-15-26(16-13-24)17-19-3-7-20(28)8-4-19)27(23(25)30)14-11-18-5-9-21(31-2)10-6-18/h3-10,28H,11-17H2,1-2H3
InChIKeyOQURAQOPHNFWKZ-UHFFFAOYSA-N
XLogP2.87
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.87
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

1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221965
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(1-phenylpyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136978
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225065
1-[2-(4-methoxyphenyl)ethyl]-8-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230621
1-[2-(4-methoxyphenyl)ethyl]-8-(1-methoxypropan-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164431
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137327
8-[(4-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219539
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142333
8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133469
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215176
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670

Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26227109) is 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(O)cc2)CC3)cc1.
What is the InChIKey of 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OQURAQOPHNFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-25-22(29)24(12-15-26(16-13-24)17-19-3-7-20(28)8-4-19)27(23(25)30)14-11-18-5-9-21(31-2)10-6-18/h3-10,28H,11-17H2,1-2H3.
What are the key properties of 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 423.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).