7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

C21H20N4O8 — CID 22331027

IUPAC7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESCOc1cc(C2NC(=O)NC(c3ccc(O)c(OC)c3)C23C(=O)NC(=O)NC3=O)ccc1O
InChIInChI=1S/C21H20N4O8/c1-32-13-7-9(3-5-11(13)26)15-21(17(28)24-20(31)25-18(21)29)16(23-19(30)22-15)10-4-6-12(27)14(8-10)33-2/h3-8,15-16,26-27H,1-2H3,(H2,22,23,30)(H2,24,25,28,29,31)
InChIKeyABNWIDLOWBLPEZ-UHFFFAOYSA-N
MW456.41 g/mol
LogP0.56
Rot. Bonds4

About 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (PubChem CID 22331027) has the molecular formula C21H20N4O8 and a molecular weight of 456.41 g/mol. Its IUPAC name is 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.

Molecular Properties

Compound Name7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
PubChem CID22331027
Molecular FormulaC21H20N4O8
Molecular Weight456.41 g/mol
Exact Mass456.13
IUPAC Name7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESCOc1cc(C2NC(=O)NC(c3ccc(O)c(OC)c3)C23C(=O)NC(=O)NC3=O)ccc1O
InChIInChI=1S/C21H20N4O8/c1-32-13-7-9(3-5-11(13)26)15-21(17(28)24-20(31)25-18(21)29)16(23-19(30)22-15)10-4-6-12(27)14(8-10)33-2/h3-8,15-16,26-27H,1-2H3,(H2,22,23,30)(H2,24,25,28,29,31)
InChIKeyABNWIDLOWBLPEZ-UHFFFAOYSA-N
XLogP0.56
TPSA175.32 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.41
LogP ≤ 50.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
CID 4019771
cyclooctyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3093332
(6S)-6-(4-hydroxy-3-methoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1081460
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
(4S)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 744158
(4S)-6-(2-hydroxyethyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 51492585

Frequently Asked Questions

What is the IUPAC name of 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The IUPAC name of 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (CID 22331027) is 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.
What is the SMILES notation for 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The canonical SMILES for 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is COc1cc(C2NC(=O)NC(c3ccc(O)c(OC)c3)C23C(=O)NC(=O)NC3=O)ccc1O.
What is the InChIKey of 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The InChIKey is ABNWIDLOWBLPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O8/c1-32-13-7-9(3-5-11(13)26)15-21(17(28)24-20(31)25-18(21)29)16(23-19(30)22-15)10-4-6-12(27)14(8-10)33-2/h3-8,15-16,26-27H,1-2H3,(H2,22,23,30)(H2,24,25,28,29,31).
What are the key properties of 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone has a molecular weight of 456.41 g/mol, XLogP of 0.56, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is sourced from PubChem (CID 22331027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).