N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide

C18H24N2O4 — CID 122440682

IUPACN-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
SMILESCC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2(C)C)CCC1
InChIInChI=1S/C18H24N2O4/c1-17(2)11-24-14-9-12(15(21)19-23)5-6-13(14)10-20(17)16(22)18(3)7-4-8-18/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyOUFXFSDQFQBXOS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds2

About N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide

N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide (PubChem CID 122440682) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
PubChem CID122440682
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
SMILESCC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2(C)C)CCC1
InChIInChI=1S/C18H24N2O4/c1-17(2)11-24-14-9-12(15(21)19-23)5-6-13(14)10-20(17)16(22)18(3)7-4-8-18/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyOUFXFSDQFQBXOS-UHFFFAOYSA-N
XLogP2.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
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'}

Analyze N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide (CID 122440682) is N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide is CC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2(C)C)CCC1.
What is the InChIKey of N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The InChIKey is OUFXFSDQFQBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-17(2)11-24-14-9-12(15(21)19-23)5-6-13(14)10-20(17)16(22)18(3)7-4-8-18/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122440682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).