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'}

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

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Related Compounds

N'-(4-bromophenyl)-4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxine-5-carboximidamide
CID 137092313
N'-(2-benzylpyrazol-3-yl)-4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxine-5-carboximidamide
CID 137092203
4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
CID 10912806
2,2-dimethyl-5-[1-(4-methylphenyl)ethylidene]-1,3-dioxane-4,6-dione
CID 71405296
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
CID 12966223
3-acetyl-5,5-dimethyl-4-(4-methylphenyl)furan-2-one
CID 54102452
(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-(4-methylphenyl)iodanium
CID 87562106

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).