N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C23H25N3O5 — CID 122440228

IUPACN-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCCN(C(=O)C1Oc3ccccc3C13CCNCC3)C2
InChIInChI=1S/C23H25N3O5/c27-21(25-29)15-5-6-16-14-26(11-12-30-19(16)13-15)22(28)20-23(7-9-24-10-8-23)17-3-1-2-4-18(17)31-20/h1-6,13,20,24,29H,7-12,14H2,(H,25,27)
InChIKeyZEGWEJMMFYKBRK-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.61
Rot. Bonds2

About N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 122440228) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID122440228
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCCN(C(=O)C1Oc3ccccc3C13CCNCC3)C2
InChIInChI=1S/C23H25N3O5/c27-21(25-29)15-5-6-16-14-26(11-12-30-19(16)13-15)22(28)20-23(7-9-24-10-8-23)17-3-1-2-4-18(17)31-20/h1-6,13,20,24,29H,7-12,14H2,(H,25,27)
InChIKeyZEGWEJMMFYKBRK-UHFFFAOYSA-N
XLogP1.61
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.61
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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Related Compounds

4-(4,4-difluorocyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440115
4-(3-azaspiro[5.5]undecan-9-ylmethyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 138605596
N-hydroxy-4-(oxolane-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440159
4-(2-cyclopropylacetyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440141
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440211
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440681
4-(1,3-benzodioxole-5-carbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440628
4-benzoyl-N-hydroxy-2,3,5,6-tetrahydro-1,4-benzoxazocine-9-carboxamide
CID 122439239
N-hydroxy-4-[2-(2-phenoxyphenyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440340
4-(2,2-dimethylpropanoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;methyl 4-(2,2-dimethylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate;methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 158058605
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186
2-azaspiro[4.4]nonane-2-carbonyl 8-(hydroxycarbamoyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 142799688

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 122440228) is N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is O=C(NO)c1ccc2c(c1)OCCN(C(=O)C1Oc3ccccc3C13CCNCC3)C2.
What is the InChIKey of N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is ZEGWEJMMFYKBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-21(25-29)15-5-6-16-14-26(11-12-30-19(16)13-15)22(28)20-23(7-9-24-10-8-23)17-3-1-2-4-18(17)31-20/h1-6,13,20,24,29H,7-12,14H2,(H,25,27).
What are the key properties of N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(spiro[2H-1-benzofuran-3,4'-piperidine]-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122440228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).