N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide

C12H16N2O2 — CID 134534499

IUPACN-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
SMILESC=C/C=C(NC(=O)CN)\C(=C/C=C)C(C)=O
InChIInChI=1S/C12H16N2O2/c1-4-6-10(9(3)15)11(7-5-2)14-12(16)8-13/h4-7H,1-2,8,13H2,3H3,(H,14,16)/b10-6-,11-7+
InChIKeyGSMQUWBBOMSFJV-NAKBGQTNSA-N
MW220.27 g/mol
LogP0.83
Rot. Bonds6

About N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide

N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide (PubChem CID 134534499) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide.

Molecular Properties

Compound NameN-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
PubChem CID134534499
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
SMILESC=C/C=C(NC(=O)CN)\C(=C/C=C)C(C)=O
InChIInChI=1S/C12H16N2O2/c1-4-6-10(9(3)15)11(7-5-2)14-12(16)8-13/h4-7H,1-2,8,13H2,3H3,(H,14,16)/b10-6-,11-7+
InChIKeyGSMQUWBBOMSFJV-NAKBGQTNSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide?
The IUPAC name of N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide (CID 134534499) is N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide.
What is the SMILES notation for N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide?
The canonical SMILES for N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide is C=C/C=C(NC(=O)CN)\C(=C/C=C)C(C)=O.
What is the InChIKey of N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide?
The InChIKey is GSMQUWBBOMSFJV-NAKBGQTNSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-6-10(9(3)15)11(7-5-2)14-12(16)8-13/h4-7H,1-2,8,13H2,3H3,(H,14,16)/b10-6-,11-7+.
What are the key properties of N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide?
N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide has a molecular weight of 220.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide is sourced from PubChem (CID 134534499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).