(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide

C13H20N2O3 — CID 87061145

IUPAC(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
SMILESC=C/C=C(\C=C)CNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C13H20N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,1-2,8-9H2,3-4H3,(H,14,17)(H,15,16)/b11-7+/t12-/m1/s1
InChIKeyXKXKBOUAULUITA-YTRUQHMWSA-N
MW252.31 g/mol
LogP0.55
Rot. Bonds8

About (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide (PubChem CID 87061145) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
PubChem CID87061145
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
SMILESC=C/C=C(\C=C)CNC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C13H20N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,1-2,8-9H2,3-4H3,(H,14,17)(H,15,16)/b11-7+/t12-/m1/s1
InChIKeyXKXKBOUAULUITA-YTRUQHMWSA-N
XLogP0.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide (CID 87061145) is (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide is C=C/C=C(\C=C)CNC(=O)[C@@H](COC)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide?
The InChIKey is XKXKBOUAULUITA-YTRUQHMWSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,1-2,8-9H2,3-4H3,(H,14,17)(H,15,16)/b11-7+/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide is sourced from PubChem (CID 87061145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).