3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H19N3O4 — CID 135501956

IUPAC3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c1O
InChIInChI=1S/C16H19N3O4/c1-23-12-7-5-6-11(13(12)20)10-17-19-14(21)16(18-15(19)22)8-3-2-4-9-16/h5-7,10,20H,2-4,8-9H2,1H3,(H,18,22)/b17-10+
InChIKeyZDMPPVGPSSPPHL-LICLKQGHSA-N
MW317.34 g/mol
LogP1.99
Rot. Bonds3

About 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 135501956) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID135501956
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c1O
InChIInChI=1S/C16H19N3O4/c1-23-12-7-5-6-11(13(12)20)10-17-19-14(21)16(18-15(19)22)8-3-2-4-9-16/h5-7,10,20H,2-4,8-9H2,1H3,(H,18,22)/b17-10+
InChIKeyZDMPPVGPSSPPHL-LICLKQGHSA-N
XLogP1.99
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]propanohydrazide
CID 135412038
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetohydrazide
CID 135517030
3-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135520034
5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135520060
3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135520067
3-[[2-(Difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643515
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2695931
3-[[4-(Difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 3913853
3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696814
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 5701100
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 5701101

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 135501956) is 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1cccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c1O.
What is the InChIKey of 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZDMPPVGPSSPPHL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-23-12-7-5-6-11(13(12)20)10-17-19-14(21)16(18-15(19)22)8-3-2-4-9-16/h5-7,10,20H,2-4,8-9H2,1H3,(H,18,22)/b17-10+.
What are the key properties of 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 317.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135501956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).