(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide

C14H26N2O3 — CID 156566771

IUPAC(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide
SMILESCCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-9-7-6-8-13(16-12(4)17)14(18)15-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3,(H,15,18)(H,16,17)/b7-6+/t13-/m0/s1
InChIKeyLYMAEPJIERELNH-YBJDMEARSA-N
MW270.37 g/mol
LogP1.25
Rot. Bonds9

About (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide

(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide (PubChem CID 156566771) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide
PubChem CID156566771
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide
SMILESCCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-9-7-6-8-13(16-12(4)17)14(18)15-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3,(H,15,18)(H,16,17)/b7-6+/t13-/m0/s1
InChIKeyLYMAEPJIERELNH-YBJDMEARSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide (CID 156566771) is (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide is CCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C.
What is the InChIKey of (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is LYMAEPJIERELNH-YBJDMEARSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-9-7-6-8-13(16-12(4)17)14(18)15-10-11(2)3/h6-7,11,13H,5,8-10H2,1-4H3,(H,15,18)(H,16,17)/b7-6+/t13-/m0/s1.
What are the key properties of (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide?
(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 156566771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).