(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide

C11H18N2O2 — CID 134458144

IUPAC(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(=O)NC(C)C)NC(C)=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-11(15)8(3)6-9(4)13-10(5)14/h6-7H,4H2,1-3,5H3,(H,12,15)(H,13,14)/b8-6+
InChIKeyYASXKUKROUEZGD-SOFGYWHQSA-N
MW210.28 g/mol
LogP1.11
Rot. Bonds4

About (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide

(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide (PubChem CID 134458144) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide
PubChem CID134458144
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(=O)NC(C)C)NC(C)=O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-11(15)8(3)6-9(4)13-10(5)14/h6-7H,4H2,1-3,5H3,(H,12,15)(H,13,14)/b8-6+
InChIKeyYASXKUKROUEZGD-SOFGYWHQSA-N
XLogP1.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide (CID 134458144) is (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide is C=C(/C=C(\C)C(=O)NC(C)C)NC(C)=O.
What is the InChIKey of (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide?
The InChIKey is YASXKUKROUEZGD-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)12-11(15)8(3)6-9(4)13-10(5)14/h6-7H,4H2,1-3,5H3,(H,12,15)(H,13,14)/b8-6+.
What are the key properties of (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide?
(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide has a molecular weight of 210.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 134458144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).