2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide

C18H24ClNO — CID 118720711

IUPAC2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO/c1-14(2)5-4-6-15(3)11-12-20-18(21)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3,(H,20,21)/b15-11+
InChIKeyURHABLZDIZBRNF-RVDMUPIBSA-N
MW305.85 g/mol
LogP4.69
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide

2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide (PubChem CID 118720711) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
PubChem CID118720711
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO/c1-14(2)5-4-6-15(3)11-12-20-18(21)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3,(H,20,21)/b15-11+
InChIKeyURHABLZDIZBRNF-RVDMUPIBSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-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 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide (CID 118720711) is 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide is CC(C)=CCC/C(C)=C/CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The InChIKey is URHABLZDIZBRNF-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-14(2)5-4-6-15(3)11-12-20-18(21)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3,(H,20,21)/b15-11+.
What are the key properties of 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide has a molecular weight of 305.85 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide is sourced from PubChem (CID 118720711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).