(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide

C15H19NO3 — CID 58248631

IUPAC(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide
SMILESCc1ccc(/C=C/C(=O)CCCCC(=O)NO)cc1
InChIInChI=1S/C15H19NO3/c1-12-6-8-13(9-7-12)10-11-14(17)4-2-3-5-15(18)16-19/h6-11,19H,2-5H2,1H3,(H,16,18)/b11-10+
InChIKeyYRYCGOZVEGUFGA-ZHACJKMWSA-N
MW261.32 g/mol
LogP2.64
Rot. Bonds7

About (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide

(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide (PubChem CID 58248631) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide
PubChem CID58248631
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide
SMILESCc1ccc(/C=C/C(=O)CCCCC(=O)NO)cc1
InChIInChI=1S/C15H19NO3/c1-12-6-8-13(9-7-12)10-11-14(17)4-2-3-5-15(18)16-19/h6-11,19H,2-5H2,1H3,(H,16,18)/b11-10+
InChIKeyYRYCGOZVEGUFGA-ZHACJKMWSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide?
The IUPAC name of (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide (CID 58248631) is (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide.
What is the SMILES notation for (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide?
The canonical SMILES for (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide is Cc1ccc(/C=C/C(=O)CCCCC(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide?
The InChIKey is YRYCGOZVEGUFGA-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-6-8-13(9-7-12)10-11-14(17)4-2-3-5-15(18)16-19/h6-11,19H,2-5H2,1H3,(H,16,18)/b11-10+.
What are the key properties of (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide?
(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide is sourced from PubChem (CID 58248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).