4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C19H20N2O4 — CID 122440211

IUPAC4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCOc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C19H20N2O4/c1-12-4-3-5-13(2)17(12)19(23)21-8-9-25-16-10-14(18(22)20-24)6-7-15(16)11-21/h3-7,10,24H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyNXDBFLSBRYUPSN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.46
Rot. Bonds2

About 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 122440211) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID122440211
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCOc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C19H20N2O4/c1-12-4-3-5-13(2)17(12)19(23)21-8-9-25-16-10-14(18(22)20-24)6-7-15(16)11-21/h3-7,10,24H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyNXDBFLSBRYUPSN-UHFFFAOYSA-N
XLogP2.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 122440211) is 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is Cc1cccc(C)c1C(=O)N1CCOc2cc(C(=O)NO)ccc2C1.
What is the InChIKey of 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is NXDBFLSBRYUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-4-3-5-13(2)17(12)19(23)21-8-9-25-16-10-14(18(22)20-24)6-7-15(16)11-21/h3-7,10,24H,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122440211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).