N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide

C15H21N3O4 — CID 44582773

IUPACN-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1cccc(O)c1)NO
InChIInChI=1S/C15H21N3O4/c19-13-6-4-5-12(11-13)9-10-16-17-14(20)7-2-1-3-8-15(21)18-22/h4-6,9-11,16,19,22H,1-3,7-8H2,(H,17,20)(H,18,21)/b10-9+
InChIKeyKYPVTWADOQDREV-MDZDMXLPSA-N
MW307.35 g/mol
LogP1.44
Rot. Bonds9

About N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide

N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide (PubChem CID 44582773) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide
PubChem CID44582773
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1cccc(O)c1)NO
InChIInChI=1S/C15H21N3O4/c19-13-6-4-5-12(11-13)9-10-16-17-14(20)7-2-1-3-8-15(21)18-22/h4-6,9-11,16,19,22H,1-3,7-8H2,(H,17,20)(H,18,21)/b10-9+
InChIKeyKYPVTWADOQDREV-MDZDMXLPSA-N
XLogP1.44
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.44
H-Bond Donors ≤ 55
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-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide?
The IUPAC name of N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide (CID 44582773) is N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide.
What is the SMILES notation for N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide?
The canonical SMILES for N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide is O=C(CCCCCC(=O)NN/C=C/c1cccc(O)c1)NO.
What is the InChIKey of N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide?
The InChIKey is KYPVTWADOQDREV-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-13-6-4-5-12(11-13)9-10-16-17-14(20)7-2-1-3-8-15(21)18-22/h4-6,9-11,16,19,22H,1-3,7-8H2,(H,17,20)(H,18,21)/b10-9+.
What are the key properties of N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide?
N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide has a molecular weight of 307.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]hydrazinyl]-7-oxoheptanamide is sourced from PubChem (CID 44582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).