3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen

C13H27NO2 — CID 178010453

IUPAC3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen
SMILESCCCC(CC(=O)NC/C=C/C(C)C)OC.[H][H]
InChIInChI=1S/C13H25NO2.H2/c1-5-7-12(16-4)10-13(15)14-9-6-8-11(2)3;/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,14,15);1H/b8-6+;
InChIKeySXGFMNWNYVVTEY-WVLIHFOGSA-N
MW229.36 g/mol
LogP2.77
Rot. Bonds8

About 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen

3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen (PubChem CID 178010453) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen.

Molecular Properties

Compound Name3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen
PubChem CID178010453
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen
SMILESCCCC(CC(=O)NC/C=C/C(C)C)OC.[H][H]
InChIInChI=1S/C13H25NO2.H2/c1-5-7-12(16-4)10-13(15)14-9-6-8-11(2)3;/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,14,15);1H/b8-6+;
InChIKeySXGFMNWNYVVTEY-WVLIHFOGSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen 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 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen?
The IUPAC name of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen (CID 178010453) is 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen.
What is the SMILES notation for 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen?
The canonical SMILES for 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen is CCCC(CC(=O)NC/C=C/C(C)C)OC.[H][H].
What is the InChIKey of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen?
The InChIKey is SXGFMNWNYVVTEY-WVLIHFOGSA-N. The full InChI is InChI=1S/C13H25NO2.H2/c1-5-7-12(16-4)10-13(15)14-9-6-8-11(2)3;/h6,8,11-12H,5,7,9-10H2,1-4H3,(H,14,15);1H/b8-6+;.
What are the key properties of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen?
3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen has a molecular weight of 229.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen is sourced from PubChem (CID 178010453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).