N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C17H22N2O6 — CID 122440419

IUPACN-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOCC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2C)COC1
InChIInChI=1S/C17H22N2O6/c1-11-7-25-14-5-12(15(20)18-22)3-4-13(14)6-19(11)16(21)17(8-23-2)9-24-10-17/h3-5,11,22H,6-10H2,1-2H3,(H,18,20)
InChIKeyHIMBVNNJRSNLBL-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.58
Rot. Bonds4

About N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 122440419) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID122440419
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC NameN-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOCC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2C)COC1
InChIInChI=1S/C17H22N2O6/c1-11-7-25-14-5-12(15(20)18-22)3-4-13(14)6-19(11)16(21)17(8-23-2)9-24-10-17/h3-5,11,22H,6-10H2,1-2H3,(H,18,20)
InChIKeyHIMBVNNJRSNLBL-UHFFFAOYSA-N
XLogP0.58
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.58
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'}

Analyze N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-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-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 122440419) is N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is COCC1(C(=O)N2Cc3ccc(C(=O)NO)cc3OCC2C)COC1.
What is the InChIKey of N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is HIMBVNNJRSNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-11-7-25-14-5-12(15(20)18-22)3-4-13(14)6-19(11)16(21)17(8-23-2)9-24-10-17/h3-5,11,22H,6-10H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122440419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).