(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide

C13H18N2O2 — CID 121354391

IUPAC(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide
SMILESC=C/C=C(\C)NC(=O)C/C(=C\C=C)NC(C)=O
InChIInChI=1S/C13H18N2O2/c1-5-7-10(3)14-13(17)9-12(8-6-2)15-11(4)16/h5-8H,1-2,9H2,3-4H3,(H,14,17)(H,15,16)/b10-7+,12-8+
InChIKeyLSUYZDBZYYEFIC-SMTGYRLFSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds6

About (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide

(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide (PubChem CID 121354391) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide
PubChem CID121354391
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide
SMILESC=C/C=C(\C)NC(=O)C/C(=C\C=C)NC(C)=O
InChIInChI=1S/C13H18N2O2/c1-5-7-10(3)14-13(17)9-12(8-6-2)15-11(4)16/h5-8H,1-2,9H2,3-4H3,(H,14,17)(H,15,16)/b10-7+,12-8+
InChIKeyLSUYZDBZYYEFIC-SMTGYRLFSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide?
The IUPAC name of (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide (CID 121354391) is (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide.
What is the SMILES notation for (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide?
The canonical SMILES for (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide is C=C/C=C(\C)NC(=O)C/C(=C\C=C)NC(C)=O.
What is the InChIKey of (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide?
The InChIKey is LSUYZDBZYYEFIC-SMTGYRLFSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-7-10(3)14-13(17)9-12(8-6-2)15-11(4)16/h5-8H,1-2,9H2,3-4H3,(H,14,17)(H,15,16)/b10-7+,12-8+.
What are the key properties of (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide?
(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide has a molecular weight of 234.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide is sourced from PubChem (CID 121354391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).