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

C13H25NO2 — CID 178010454

IUPAC3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide
SMILESCCCC(CC(=O)NC/C=C/C(C)C)OC
InChIInChI=1S/C13H25NO2/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)/b8-6+
InChIKeyBHMKLZIOLRAUDW-SOFGYWHQSA-N
MW227.35 g/mol
LogP2.52
Rot. Bonds8

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

3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide (PubChem CID 178010454) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide.

Molecular Properties

Compound Name3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide
PubChem CID178010454
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide
SMILESCCCC(CC(=O)NC/C=C/C(C)C)OC
InChIInChI=1S/C13H25NO2/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)/b8-6+
InChIKeyBHMKLZIOLRAUDW-SOFGYWHQSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide?
The IUPAC name of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide (CID 178010454) is 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide.
What is the SMILES notation for 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide?
The canonical SMILES for 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide is CCCC(CC(=O)NC/C=C/C(C)C)OC.
What is the InChIKey of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide?
The InChIKey is BHMKLZIOLRAUDW-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H25NO2/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)/b8-6+.
What are the key properties of 3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide?
3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide has a molecular weight of 227.35 g/mol, XLogP of 2.52, 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 is sourced from PubChem (CID 178010454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).