4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide

C14H16N2O4 — CID 137092282

IUPAC4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide
SMILESCc1ccc(/N=C(\N)C2=C(O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-8-4-6-9(7-5-8)16-11(15)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H2,15,16)
InChIKeyNSIBKAQTXPNBAN-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.06
Rot. Bonds2

About 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide

4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide (PubChem CID 137092282) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide
PubChem CID137092282
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide
SMILESCc1ccc(/N=C(\N)C2=C(O)OC(C)(C)OC2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-8-4-6-9(7-5-8)16-11(15)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H2,15,16)
InChIKeyNSIBKAQTXPNBAN-UHFFFAOYSA-N
XLogP2.06
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide?
The IUPAC name of 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide (CID 137092282) is 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide is Cc1ccc(/N=C(\N)C2=C(O)OC(C)(C)OC2=O)cc1.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide?
The InChIKey is NSIBKAQTXPNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-4-6-9(7-5-8)16-11(15)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H2,15,16).
What are the key properties of 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide?
4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide has a molecular weight of 276.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-N'-(4-methylphenyl)-6-oxo-1,3-dioxine-5-carboximidamide is sourced from PubChem (CID 137092282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).