N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide

C20H23N3O4 — CID 53323775

IUPACN-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
SMILESCOc1ccc2c(c1)N(CCCCCC(=O)NO)C(=O)c1ccccc1N2
InChIInChI=1S/C20H23N3O4/c1-27-14-10-11-17-18(13-14)23(12-6-2-3-9-19(24)22-26)20(25)15-7-4-5-8-16(15)21-17/h4-5,7-8,10-11,13,21,26H,2-3,6,9,12H2,1H3,(H,22,24)
InChIKeyUJAZVKGICDEVDB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.46
Rot. Bonds7

About N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide

N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide (PubChem CID 53323775) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
PubChem CID53323775
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
SMILESCOc1ccc2c(c1)N(CCCCCC(=O)NO)C(=O)c1ccccc1N2
InChIInChI=1S/C20H23N3O4/c1-27-14-10-11-17-18(13-14)23(12-6-2-3-9-19(24)22-26)20(25)15-7-4-5-8-16(15)21-17/h4-5,7-8,10-11,13,21,26H,2-3,6,9,12H2,1H3,(H,22,24)
InChIKeyUJAZVKGICDEVDB-UHFFFAOYSA-N
XLogP3.46
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide (CID 53323775) is N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide is COc1ccc2c(c1)N(CCCCCC(=O)NO)C(=O)c1ccccc1N2.
What is the InChIKey of N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
The InChIKey is UJAZVKGICDEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-27-14-10-11-17-18(13-14)23(12-6-2-3-9-19(24)22-26)20(25)15-7-4-5-8-16(15)21-17/h4-5,7-8,10-11,13,21,26H,2-3,6,9,12H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide?
N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide has a molecular weight of 369.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methoxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide is sourced from PubChem (CID 53323775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).