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

C16H22ClN3O5 — CID 137355982

IUPAC6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride
SMILESCN1CC(C(=O)NC2CCOCC2)Oc2ccc(C(=O)NO)cc21.Cl
InChIInChI=1S/C16H21N3O5.ClH/c1-19-9-14(16(21)17-11-4-6-23-7-5-11)24-13-3-2-10(8-12(13)19)15(20)18-22;/h2-3,8,11,14,22H,4-7,9H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyVCGSHBKMEZACOG-UHFFFAOYSA-N
MW371.82 g/mol
LogP0.72
Rot. Bonds3

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

6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride (PubChem CID 137355982) has the molecular formula C16H22ClN3O5 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride
PubChem CID137355982
Molecular FormulaC16H22ClN3O5
Molecular Weight371.82 g/mol
Exact Mass371.12
IUPAC Name6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride
SMILESCN1CC(C(=O)NC2CCOCC2)Oc2ccc(C(=O)NO)cc21.Cl
InChIInChI=1S/C16H21N3O5.ClH/c1-19-9-14(16(21)17-11-4-6-23-7-5-11)24-13-3-2-10(8-12(13)19)15(20)18-22;/h2-3,8,11,14,22H,4-7,9H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyVCGSHBKMEZACOG-UHFFFAOYSA-N
XLogP0.72
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 50.72
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride?
The IUPAC name of 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride (CID 137355982) is 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride.
What is the SMILES notation for 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride?
The canonical SMILES for 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride is CN1CC(C(=O)NC2CCOCC2)Oc2ccc(C(=O)NO)cc21.Cl.
What is the InChIKey of 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride?
The InChIKey is VCGSHBKMEZACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5.ClH/c1-19-9-14(16(21)17-11-4-6-23-7-5-11)24-13-3-2-10(8-12(13)19)15(20)18-22;/h2-3,8,11,14,22H,4-7,9H2,1H3,(H,17,21)(H,18,20);1H.
What are the key properties of 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride?
6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride has a molecular weight of 371.82 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride is sourced from PubChem (CID 137355982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).