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

C14H15NO5 — CID 10912806

IUPAC4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C14H15NO5/c1-8-6-4-5-7-9(8)15-11(16)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H,15,16)
InChIKeyHGRDDUPXECTCOA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.01
Rot. Bonds2

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

4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide (PubChem CID 10912806) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
PubChem CID10912806
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C14H15NO5/c1-8-6-4-5-7-9(8)15-11(16)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H,15,16)
InChIKeyHGRDDUPXECTCOA-UHFFFAOYSA-N
XLogP2.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-difluorophenyl)-4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxine-5-carboxamide
CID 163368308
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
CID 2942110
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
3-amino-6-methyl-N-(2-methylphenyl)-4-oxo-3a,5-dihydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 146000057
2-(2-methylanilino)prop-2-enoic acid
CID 67584217
(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-(2-methylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124711607
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
(2-methylphenyl)urea;phosphane
CID 175888509
3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 3158988
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide?
The IUPAC name of 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide (CID 10912806) is 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide is Cc1ccccc1NC(=O)C1=C(O)OC(C)(C)OC1=O.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide?
The InChIKey is HGRDDUPXECTCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-6-4-5-7-9(8)15-11(16)10-12(17)19-14(2,3)20-13(10)18/h4-7,17H,1-3H3,(H,15,16).
What are the key properties of 4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide?
4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 2.01, 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-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide is sourced from PubChem (CID 10912806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).