(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide

C13H24N2O3 — CID 168939133

IUPAC(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide
SMILESCCOC/C=C/C[C@H](NC(C)=O)C(=O)N(C)CC
InChIInChI=1S/C13H24N2O3/c1-5-15(4)13(17)12(14-11(3)16)9-7-8-10-18-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+/t12-/m0/s1
InChIKeyYGGXLRSNODXKRC-GUOLPTJISA-N
MW256.35 g/mol
LogP0.95
Rot. Bonds8

About (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide

(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide (PubChem CID 168939133) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide
PubChem CID168939133
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide
SMILESCCOC/C=C/C[C@H](NC(C)=O)C(=O)N(C)CC
InChIInChI=1S/C13H24N2O3/c1-5-15(4)13(17)12(14-11(3)16)9-7-8-10-18-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+/t12-/m0/s1
InChIKeyYGGXLRSNODXKRC-GUOLPTJISA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
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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Related Compounds

(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
CID 138738679
(2S)-N-[(2S)-1-[[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 58669385
6-Methoxy-2-(propanoylamino)hex-4-enamide
CID 90723504
(2S)-N-[(2S)-1-[[(3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 90874775
4,4-dimethylpent-2-enyl N-[(2S,3R)-1-amino-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 141754259
(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
CID 143023877
(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306836
(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306838
(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide
CID 156566769
(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide
CID 156566771
6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 158726773
(2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 159604918

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide?
The IUPAC name of (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide (CID 168939133) is (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide.
What is the SMILES notation for (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide?
The canonical SMILES for (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide is CCOC/C=C/C[C@H](NC(C)=O)C(=O)N(C)CC.
What is the InChIKey of (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide?
The InChIKey is YGGXLRSNODXKRC-GUOLPTJISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-15(4)13(17)12(14-11(3)16)9-7-8-10-18-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+/t12-/m0/s1.
What are the key properties of (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide?
(E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide has a molecular weight of 256.35 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-acetamido-6-ethoxy-N-ethyl-N-methylhex-4-enamide is sourced from PubChem (CID 168939133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).