N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide

C13H23NO2 — CID 87095014

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(C)O
InChIInChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8,12,15H,5,7,9H2,1-4H3,(H,14,16)/b11-8+
InChIKeyXJPPJYZNXFEKRC-DHZHZOJOSA-N
MW225.33 g/mol
LogP2.18
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide (PubChem CID 87095014) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide
PubChem CID87095014
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(C)O
InChIInChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8,12,15H,5,7,9H2,1-4H3,(H,14,16)/b11-8+
InChIKeyXJPPJYZNXFEKRC-DHZHZOJOSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide 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-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide (CID 87095014) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide is CC(C)=CCC/C(C)=C/CNC(=O)C(C)O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide?
The InChIKey is XJPPJYZNXFEKRC-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8,12,15H,5,7,9H2,1-4H3,(H,14,16)/b11-8+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxypropanamide is sourced from PubChem (CID 87095014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).