N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide

C23H25N3O5 — CID 163800599

IUPACN-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCC1(CC1c1ccccc1)N(C(=O)N1CCOCC1)C2
InChIInChI=1S/C23H25N3O5/c27-21(24-29)17-6-7-18-14-26(22(28)25-8-10-30-11-9-25)23(15-31-20(18)12-17)13-19(23)16-4-2-1-3-5-16/h1-7,12,19,29H,8-11,13-15H2,(H,24,27)
InChIKeyNEPNCGMHMWWSGU-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.38
Rot. Bonds2

About N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide

N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide (PubChem CID 163800599) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide
PubChem CID163800599
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCC1(CC1c1ccccc1)N(C(=O)N1CCOCC1)C2
InChIInChI=1S/C23H25N3O5/c27-21(24-29)17-6-7-18-14-26(22(28)25-8-10-30-11-9-25)23(15-31-20(18)12-17)13-19(23)16-4-2-1-3-5-16/h1-7,12,19,29H,8-11,13-15H2,(H,24,27)
InChIKeyNEPNCGMHMWWSGU-UHFFFAOYSA-N
XLogP2.38
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(3S)-N-hydroxy-3-methyl-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122437905
(3S)-3-(4-chlorophenyl)-N-hydroxy-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122437661
N-hydroxy-3-(4-methylphenyl)-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122437746
(3S)-N-hydroxy-3-(4-methylphenyl)-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;sulfane
CID 157382059
4-(2-cyclopropylacetyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440141
N-hydroxy-4-(4-methoxypiperidine-1-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438089
4-benzoyl-N-hydroxy-2,3,5,6-tetrahydro-1,4-benzoxazocine-9-carboxamide
CID 122439239
N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
CID 122440682
N-hydroxy-4-(oxolane-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440159
N-hydroxy-4-[(3S)-oxane-3-carbonyl]-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 140732959
4-(4,4-difluorocyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440115
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide?
The IUPAC name of N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide (CID 163800599) is N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide.
What is the SMILES notation for N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide?
The canonical SMILES for N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide is O=C(NO)c1ccc2c(c1)OCC1(CC1c1ccccc1)N(C(=O)N1CCOCC1)C2.
What is the InChIKey of N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide?
The InChIKey is NEPNCGMHMWWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-21(24-29)17-6-7-18-14-26(22(28)25-8-10-30-11-9-25)23(15-31-20(18)12-17)13-19(23)16-4-2-1-3-5-16/h1-7,12,19,29H,8-11,13-15H2,(H,24,27).
What are the key properties of N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide?
N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(morpholine-4-carbonyl)-2'-phenylspiro[2,5-dihydro-1,4-benzoxazepine-3,1'-cyclopropane]-8-carboxamide is sourced from PubChem (CID 163800599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).