4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C14H16N2O4 — CID 126646111

IUPAC4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2
InChIInChI=1S/C14H16N2O4/c17-13-8-20-12-5-4-10(14(18)15-19)6-11(12)16(13)7-9-2-1-3-9/h4-6,9,19H,1-3,7-8H2,(H,15,18)
InChIKeyXXNZXCWHVOWNCQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.33
Rot. Bonds3

About 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126646111) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126646111
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2
InChIInChI=1S/C14H16N2O4/c17-13-8-20-12-5-4-10(14(18)15-19)6-11(12)16(13)7-9-2-1-3-9/h4-6,9,19H,1-3,7-8H2,(H,15,18)
InChIKeyXXNZXCWHVOWNCQ-UHFFFAOYSA-N
XLogP1.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 4-(cyclobutylmethyl)-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126655700
4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
CID 159426283
4-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645531
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645813
4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126678159
4-(cyclohexylmethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
CID 166449798
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646087

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126646111) is 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is O=C(NO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2.
What is the InChIKey of 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is XXNZXCWHVOWNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13-8-20-12-5-4-10(14(18)15-19)6-11(12)16(13)7-9-2-1-3-9/h4-6,9,19H,1-3,7-8H2,(H,15,18).
What are the key properties of 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126646111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).