6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide

C15H20BrN3O5 — CID 44582841

IUPAC6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
SMILESCOc1cc(/C=C/NNC(=O)CCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C15H20BrN3O5/c1-24-13-8-10(11(16)9-12(13)20)6-7-17-18-14(21)4-2-3-5-15(22)19-23/h6-9,17,20,23H,2-5H2,1H3,(H,18,21)(H,19,22)/b7-6+
InChIKeyRPONVRVBJAIRSB-VOTSOKGWSA-N
MW402.25 g/mol
LogP1.82
Rot. Bonds9

About 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide

6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide (PubChem CID 44582841) has the molecular formula C15H20BrN3O5 and a molecular weight of 402.25 g/mol. Its IUPAC name is 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide.

Molecular Properties

Compound Name6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
PubChem CID44582841
Molecular FormulaC15H20BrN3O5
Molecular Weight402.25 g/mol
Exact Mass401.06
IUPAC Name6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
SMILESCOc1cc(/C=C/NNC(=O)CCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C15H20BrN3O5/c1-24-13-8-10(11(16)9-12(13)20)6-7-17-18-14(21)4-2-3-5-15(22)19-23/h6-9,17,20,23H,2-5H2,1H3,(H,18,21)(H,19,22)/b7-6+
InChIKeyRPONVRVBJAIRSB-VOTSOKGWSA-N
XLogP1.82
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 51.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The IUPAC name of 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide (CID 44582841) is 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide.
What is the SMILES notation for 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The canonical SMILES for 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide is COc1cc(/C=C/NNC(=O)CCCCC(=O)NO)c(Br)cc1O.
What is the InChIKey of 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The InChIKey is RPONVRVBJAIRSB-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20BrN3O5/c1-24-13-8-10(11(16)9-12(13)20)6-7-17-18-14(21)4-2-3-5-15(22)19-23/h6-9,17,20,23H,2-5H2,1H3,(H,18,21)(H,19,22)/b7-6+.
What are the key properties of 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide has a molecular weight of 402.25 g/mol, XLogP of 1.82, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide is sourced from PubChem (CID 44582841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).