(E)-2-acetamido-N,N,4-trimethylpent-2-enamide

C10H18N2O2 — CID 6444264

IUPAC(E)-2-acetamido-N,N,4-trimethylpent-2-enamide
SMILESCC(=O)N/C(=C/C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)6-9(11-8(3)13)10(14)12(4)5/h6-7H,1-5H3,(H,11,13)/b9-6+
InChIKeyMYKMDLPAFBOKCK-RMKNXTFCSA-N
MW198.27 g/mol
LogP0.75
Rot. Bonds3

About (E)-2-acetamido-N,N,4-trimethylpent-2-enamide

(E)-2-acetamido-N,N,4-trimethylpent-2-enamide (PubChem CID 6444264) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-2-acetamido-N,N,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-N,N,4-trimethylpent-2-enamide
PubChem CID6444264
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-2-acetamido-N,N,4-trimethylpent-2-enamide
SMILESCC(=O)N/C(=C/C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)6-9(11-8(3)13)10(14)12(4)5/h6-7H,1-5H3,(H,11,13)/b9-6+
InChIKeyMYKMDLPAFBOKCK-RMKNXTFCSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-N,N,4-trimethylpent-2-enamide?
The IUPAC name of (E)-2-acetamido-N,N,4-trimethylpent-2-enamide (CID 6444264) is (E)-2-acetamido-N,N,4-trimethylpent-2-enamide.
What is the SMILES notation for (E)-2-acetamido-N,N,4-trimethylpent-2-enamide?
The canonical SMILES for (E)-2-acetamido-N,N,4-trimethylpent-2-enamide is CC(=O)N/C(=C/C(C)C)C(=O)N(C)C.
What is the InChIKey of (E)-2-acetamido-N,N,4-trimethylpent-2-enamide?
The InChIKey is MYKMDLPAFBOKCK-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)6-9(11-8(3)13)10(14)12(4)5/h6-7H,1-5H3,(H,11,13)/b9-6+.
What are the key properties of (E)-2-acetamido-N,N,4-trimethylpent-2-enamide?
(E)-2-acetamido-N,N,4-trimethylpent-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-N,N,4-trimethylpent-2-enamide is sourced from PubChem (CID 6444264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).