acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide

C15H24F2N2O3 — CID 143690453

IUPACacetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F.CC(N)=O
InChIInChI=1S/C13H19F2NO2.C2H5NO/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15;1-2(3)4/h3-7,13H,8-10H2,1-2H3,(H,16,17);1H3,(H2,3,4)/b4-3-,6-5-,11-7+;
InChIKeyWMWPOTSOYLWMRL-UUNBNUPASA-N
MW318.36 g/mol
LogP2.30
Rot. Bonds8

About acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide

acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide (PubChem CID 143690453) has the molecular formula C15H24F2N2O3 and a molecular weight of 318.36 g/mol. Its IUPAC name is acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide.

Molecular Properties

Compound Nameacetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
PubChem CID143690453
Molecular FormulaC15H24F2N2O3
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC Nameacetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F.CC(N)=O
InChIInChI=1S/C13H19F2NO2.C2H5NO/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15;1-2(3)4/h3-7,13H,8-10H2,1-2H3,(H,16,17);1H3,(H2,3,4)/b4-3-,6-5-,11-7+;
InChIKeyWMWPOTSOYLWMRL-UUNBNUPASA-N
XLogP2.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.30
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 acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The IUPAC name of acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide (CID 143690453) is acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide.
What is the SMILES notation for acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The canonical SMILES for acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide is C/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F.CC(N)=O.
What is the InChIKey of acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The InChIKey is WMWPOTSOYLWMRL-UUNBNUPASA-N. The full InChI is InChI=1S/C13H19F2NO2.C2H5NO/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15;1-2(3)4/h3-7,13H,8-10H2,1-2H3,(H,16,17);1H3,(H2,3,4)/b4-3-,6-5-,11-7+;.
What are the key properties of acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide has a molecular weight of 318.36 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide is sourced from PubChem (CID 143690453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).