8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H19N3O4 — CID 143587326

IUPAC8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(O)cc(CN2CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C15H19N3O4/c1-22-12-7-10(6-11(19)8-12)9-18-4-2-15(3-5-18)13(20)16-14(21)17-15/h6-8,19H,2-5,9H2,1H3,(H2,16,17,20,21)
InChIKeyJHYDSVZDSZQQSP-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.57
Rot. Bonds3

About 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 143587326) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID143587326
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(O)cc(CN2CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C15H19N3O4/c1-22-12-7-10(6-11(19)8-12)9-18-4-2-15(3-5-18)13(20)16-14(21)17-15/h6-8,19H,2-5,9H2,1H3,(H2,16,17,20,21)
InChIKeyJHYDSVZDSZQQSP-UHFFFAOYSA-N
XLogP0.57
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 143587326) is 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cc(O)cc(CN2CCC3(CC2)NC(=O)NC3=O)c1.
What is the InChIKey of 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JHYDSVZDSZQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-12-7-10(6-11(19)8-12)9-18-4-2-15(3-5-18)13(20)16-14(21)17-15/h6-8,19H,2-5,9H2,1H3,(H2,16,17,20,21).
What are the key properties of 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 305.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 143587326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).