N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide

C11H14N2O3 — CID 122439175

IUPACN-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCCCNC2
InChIInChI=1S/C11H14N2O3/c14-11(13-15)8-2-3-9-7-12-4-1-5-16-10(9)6-8/h2-3,6,12,15H,1,4-5,7H2,(H,13,14)
InChIKeyMSDRSUAANGUQIT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.68
Rot. Bonds1

About N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide

N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide (PubChem CID 122439175) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide
PubChem CID122439175
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide
SMILESO=C(NO)c1ccc2c(c1)OCCCNC2
InChIInChI=1S/C11H14N2O3/c14-11(13-15)8-2-3-9-7-12-4-1-5-16-10(9)6-8/h2-3,6,12,15H,1,4-5,7H2,(H,13,14)
InChIKeyMSDRSUAANGUQIT-UHFFFAOYSA-N
XLogP0.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
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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Related Compounds

N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 122438006
N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 122485771
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
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;methyl 4-(2,6-dimethylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate;methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 160887002
9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-16-carboxylic acid
CID 155992279
(1-methylcyclobutanecarbonyl) 2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 142799597
2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene
CID 10592252
4-(2,2-dimethylpropanoyl)-N-hydroxy-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-8-carboxamide
CID 140732939
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440211
4-(1,3-benzodioxole-5-carbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440628
2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
CID 83826794
4-benzoyl-N-hydroxy-2,3,5,6-tetrahydro-1,4-benzoxazocine-9-carboxamide
CID 122439239

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide?
The IUPAC name of N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide (CID 122439175) is N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide.
What is the SMILES notation for N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide?
The canonical SMILES for N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide is O=C(NO)c1ccc2c(c1)OCCCNC2.
What is the InChIKey of N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide?
The InChIKey is MSDRSUAANGUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(13-15)8-2-3-9-7-12-4-1-5-16-10(9)6-8/h2-3,6,12,15H,1,4-5,7H2,(H,13,14).
What are the key properties of N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide?
N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide is sourced from PubChem (CID 122439175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).