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

C12H18N2O3 — CID 142314586

IUPAC2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide
SMILESC=C/C=C(\C=C)CNC(=O)C(CO)NC(C)=O
InChIInChI=1S/C12H18N2O3/c1-4-6-10(5-2)7-13-12(17)11(8-15)14-9(3)16/h4-6,11,15H,1-2,7-8H2,3H3,(H,13,17)(H,14,16)/b10-6+
InChIKeyLTWDALILIURDHU-UXBLZVDNSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds7

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

2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide (PubChem CID 142314586) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide
PubChem CID142314586
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide
SMILESC=C/C=C(\C=C)CNC(=O)C(CO)NC(C)=O
InChIInChI=1S/C12H18N2O3/c1-4-6-10(5-2)7-13-12(17)11(8-15)14-9(3)16/h4-6,11,15H,1-2,7-8H2,3H3,(H,13,17)(H,14,16)/b10-6+
InChIKeyLTWDALILIURDHU-UXBLZVDNSA-N
XLogP-0.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide?
The IUPAC name of 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide (CID 142314586) is 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide?
The canonical SMILES for 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide is C=C/C=C(\C=C)CNC(=O)C(CO)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide?
The InChIKey is LTWDALILIURDHU-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-6-10(5-2)7-13-12(17)11(8-15)14-9(3)16/h4-6,11,15H,1-2,7-8H2,3H3,(H,13,17)(H,14,16)/b10-6+.
What are the key properties of 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide?
2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide is sourced from PubChem (CID 142314586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).