N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide

C23H33NO3 — CID 146682602

IUPACN-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide
SMILESCC(=O)NC[C@@H](O)CCC/C=C(C)/C=C(/C)c1ccc(C)cc1/C=C/CO
InChIInChI=1S/C23H33NO3/c1-17(8-5-6-10-22(27)16-24-20(4)26)14-19(3)23-12-11-18(2)15-21(23)9-7-13-25/h7-9,11-12,14-15,22,25,27H,5-6,10,13,16H2,1-4H3,(H,24,26)/b9-7+,17-8+,19-14-/t22-/m0/s1
InChIKeyJTQUQUWBJKBFMF-AOEVEYTLSA-N
MW371.52 g/mol
LogP4.02
Rot. Bonds10

About N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide

N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide (PubChem CID 146682602) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide
PubChem CID146682602
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC NameN-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide
SMILESCC(=O)NC[C@@H](O)CCC/C=C(C)/C=C(/C)c1ccc(C)cc1/C=C/CO
InChIInChI=1S/C23H33NO3/c1-17(8-5-6-10-22(27)16-24-20(4)26)14-19(3)23-12-11-18(2)15-21(23)9-7-13-25/h7-9,11-12,14-15,22,25,27H,5-6,10,13,16H2,1-4H3,(H,24,26)/b9-7+,17-8+,19-14-/t22-/m0/s1
InChIKeyJTQUQUWBJKBFMF-AOEVEYTLSA-N
XLogP4.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide 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 N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide?
The IUPAC name of N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide (CID 146682602) is N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide.
What is the SMILES notation for N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide?
The canonical SMILES for N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide is CC(=O)NC[C@@H](O)CCC/C=C(C)/C=C(/C)c1ccc(C)cc1/C=C/CO.
What is the InChIKey of N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide?
The InChIKey is JTQUQUWBJKBFMF-AOEVEYTLSA-N. The full InChI is InChI=1S/C23H33NO3/c1-17(8-5-6-10-22(27)16-24-20(4)26)14-19(3)23-12-11-18(2)15-21(23)9-7-13-25/h7-9,11-12,14-15,22,25,27H,5-6,10,13,16H2,1-4H3,(H,24,26)/b9-7+,17-8+,19-14-/t22-/m0/s1.
What are the key properties of N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide?
N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide has a molecular weight of 371.52 g/mol, XLogP of 4.02, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6E,8Z)-2-hydroxy-9-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-7-methyldeca-6,8-dienyl]acetamide is sourced from PubChem (CID 146682602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).