2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide

C16H21N3O5 — CID 126646059

IUPAC2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide
SMILESCN1CC(C(=O)N(O)C2CCOCC2)Oc2ccc(C(N)=O)cc21
InChIInChI=1S/C16H21N3O5/c1-18-9-14(16(21)19(22)11-4-6-23-7-5-11)24-13-3-2-10(15(17)20)8-12(13)18/h2-3,8,11,14,22H,4-7,9H2,1H3,(H2,17,20)
InChIKeyOKDBQUYCEOANRK-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.38
Rot. Bonds3

About 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide

2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide (PubChem CID 126646059) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide
PubChem CID126646059
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide
SMILESCN1CC(C(=O)N(O)C2CCOCC2)Oc2ccc(C(N)=O)cc21
InChIInChI=1S/C16H21N3O5/c1-18-9-14(16(21)19(22)11-4-6-23-7-5-11)24-13-3-2-10(15(17)20)8-12(13)18/h2-3,8,11,14,22H,4-7,9H2,1H3,(H2,17,20)
InChIKeyOKDBQUYCEOANRK-UHFFFAOYSA-N
XLogP0.38
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride
CID 137355982
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173096627
6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84621046
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
2-(oxane-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 142799635
3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide
CID 81466272
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 163392818
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
CID 176666413
3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 154739900
(3R)-3-[3-(3-chlorophenyl)propyl]-5-methyl-3,4-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 166920320
methyl 2-formyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 126677837

Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide?
The IUPAC name of 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide (CID 126646059) is 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide is CN1CC(C(=O)N(O)C2CCOCC2)Oc2ccc(C(N)=O)cc21.
What is the InChIKey of 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide?
The InChIKey is OKDBQUYCEOANRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-18-9-14(16(21)19(22)11-4-6-23-7-5-11)24-13-3-2-10(15(17)20)8-12(13)18/h2-3,8,11,14,22H,4-7,9H2,1H3,(H2,17,20).
What are the key properties of 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide?
2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide is sourced from PubChem (CID 126646059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).