N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide

C19H21N3O3 — CID 11849152

IUPACN-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Nc2ccccc21)NO
InChIInChI=1S/C19H21N3O3/c23-18(21-25)12-2-1-7-13-22-17-11-6-5-10-16(17)20-15-9-4-3-8-14(15)19(22)24/h3-6,8-11,20,25H,1-2,7,12-13H2,(H,21,23)
InChIKeyDQKFCIDCLSWKGA-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.46
Rot. Bonds6

About N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide

N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide (PubChem CID 11849152) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
PubChem CID11849152
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Nc2ccccc21)NO
InChIInChI=1S/C19H21N3O3/c23-18(21-25)12-2-1-7-13-22-17-11-6-5-10-16(17)20-15-9-4-3-8-14(15)19(22)24/h3-6,8-11,20,25H,1-2,7,12-13H2,(H,21,23)
InChIKeyDQKFCIDCLSWKGA-UHFFFAOYSA-N
XLogP3.46
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
RG-2833
CID 56654642
Clobenzepam
CID 14396
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
Bibn 140
CID 10030021
U 17660
CID 26008
5,10-Dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one
CID 201327
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Cyclopeptine
CID 179574
5,10-Dihydro-2-nitro-11H-dibenzo(b,e)(1,4)diazepin-11-one
CID 3821471
Dehydrocyclopeptine
CID 15649436

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide (CID 11849152) is N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2Nc2ccccc21)NO.
What is the InChIKey of N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The InChIKey is DQKFCIDCLSWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(21-25)12-2-1-7-13-22-17-11-6-5-10-16(17)20-15-9-4-3-8-14(15)19(22)24/h3-6,8-11,20,25H,1-2,7,12-13H2,(H,21,23).
What are the key properties of N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide has a molecular weight of 339.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide is sourced from PubChem (CID 11849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).