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

C16H30N2O3 — CID 153306836

IUPAC(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(=O)N[C@@H](C/C=C/COCC(C)C)C(=O)NCC(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)10-17-16(20)15(18-14(5)19)8-6-7-9-21-11-13(3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,17,20)(H,18,19)/b7-6+/t15-/m0/s1
InChIKeyMLYOUOPXIQGFHY-LFAOLKIESA-N
MW298.43 g/mol
LogP1.88
Rot. Bonds10

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

(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (PubChem CID 153306836) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
PubChem CID153306836
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(=O)N[C@@H](C/C=C/COCC(C)C)C(=O)NCC(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)10-17-16(20)15(18-14(5)19)8-6-7-9-21-11-13(3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,17,20)(H,18,19)/b7-6+/t15-/m0/s1
InChIKeyMLYOUOPXIQGFHY-LFAOLKIESA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.88
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-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (CID 153306836) is (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is CC(=O)N[C@@H](C/C=C/COCC(C)C)C(=O)NCC(C)C.
What is the InChIKey of (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is MLYOUOPXIQGFHY-LFAOLKIESA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)10-17-16(20)15(18-14(5)19)8-6-7-9-21-11-13(3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,17,20)(H,18,19)/b7-6+/t15-/m0/s1.
What are the key properties of (E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 298.43 g/mol, XLogP of 1.88, 10 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-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 153306836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).