1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone

C20H17N3O6 — CID 10340642

IUPAC1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone
SMILESCOc1cccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)c1
InChIInChI=1S/C20H17N3O6/c1-28-14-3-2-4-15(11-14)29-13-7-5-12(6-8-13)23-16(24)9-10-20(23)17(25)21-19(27)22-18(20)26/h2-8,11H,9-10H2,1H3,(H2,21,22,25,26,27)
InChIKeyVLYKOMJYRYYWFW-UHFFFAOYSA-N
MW395.37 g/mol
LogP1.72
Rot. Bonds4

About 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone

1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone (PubChem CID 10340642) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone
PubChem CID10340642
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone
SMILESCOc1cccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)c1
InChIInChI=1S/C20H17N3O6/c1-28-14-3-2-4-15(11-14)29-13-7-5-12(6-8-13)23-16(24)9-10-20(23)17(25)21-19(27)22-18(20)26/h2-8,11H,9-10H2,1H3,(H2,21,22,25,26,27)
InChIKeyVLYKOMJYRYYWFW-UHFFFAOYSA-N
XLogP1.72
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone?
The IUPAC name of 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone (CID 10340642) is 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone is COc1cccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone?
The InChIKey is VLYKOMJYRYYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-28-14-3-2-4-15(11-14)29-13-7-5-12(6-8-13)23-16(24)9-10-20(23)17(25)21-19(27)22-18(20)26/h2-8,11H,9-10H2,1H3,(H2,21,22,25,26,27).
What are the key properties of 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone?
1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone has a molecular weight of 395.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone is sourced from PubChem (CID 10340642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).