(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide

C17H23NO3 — CID 10880771

IUPAC(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide
SMILESCC/C=C/C=C/[C@H](CCC(=O)NO)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-3-4-8-11-16(12-13-17(19)18-20)21-14-15-9-6-5-7-10-15/h3-11,16,20H,2,12-14H2,1H3,(H,18,19)/b4-3+,11-8+/t16-/m1/s1
InChIKeyDXECMCGTJCRNSO-DNPPOBDSSA-N
MW289.38 g/mol
LogP3.38
Rot. Bonds9

About (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide

(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide (PubChem CID 10880771) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide.

Molecular Properties

Compound Name(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide
PubChem CID10880771
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide
SMILESCC/C=C/C=C/[C@H](CCC(=O)NO)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-3-4-8-11-16(12-13-17(19)18-20)21-14-15-9-6-5-7-10-15/h3-11,16,20H,2,12-14H2,1H3,(H,18,19)/b4-3+,11-8+/t16-/m1/s1
InChIKeyDXECMCGTJCRNSO-DNPPOBDSSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide 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 (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide?
The IUPAC name of (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide (CID 10880771) is (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide.
What is the SMILES notation for (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide?
The canonical SMILES for (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide is CC/C=C/C=C/[C@H](CCC(=O)NO)OCc1ccccc1.
What is the InChIKey of (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide?
The InChIKey is DXECMCGTJCRNSO-DNPPOBDSSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-4-8-11-16(12-13-17(19)18-20)21-14-15-9-6-5-7-10-15/h3-11,16,20H,2,12-14H2,1H3,(H,18,19)/b4-3+,11-8+/t16-/m1/s1.
What are the key properties of (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide?
(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide has a molecular weight of 289.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide is sourced from PubChem (CID 10880771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).