2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide

C20H24F3NO3 — CID 123749466

IUPAC2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide
SMILESC=C(C=C(C)C(=O)NC(C(=C)OCc1ccccc1)C(C)C)OC(F)(F)F
InChIInChI=1S/C20H24F3NO3/c1-13(2)18(16(5)26-12-17-9-7-6-8-10-17)24-19(25)14(3)11-15(4)27-20(21,22)23/h6-11,13,18H,4-5,12H2,1-3H3,(H,24,25)
InChIKeyYEMQYODXRSDPEU-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.85
Rot. Bonds9

About 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide

2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide (PubChem CID 123749466) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide
PubChem CID123749466
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide
SMILESC=C(C=C(C)C(=O)NC(C(=C)OCc1ccccc1)C(C)C)OC(F)(F)F
InChIInChI=1S/C20H24F3NO3/c1-13(2)18(16(5)26-12-17-9-7-6-8-10-17)24-19(25)14(3)11-15(4)27-20(21,22)23/h6-11,13,18H,4-5,12H2,1-3H3,(H,24,25)
InChIKeyYEMQYODXRSDPEU-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide (CID 123749466) is 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide is C=C(C=C(C)C(=O)NC(C(=C)OCc1ccccc1)C(C)C)OC(F)(F)F.
What is the InChIKey of 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide?
The InChIKey is YEMQYODXRSDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c1-13(2)18(16(5)26-12-17-9-7-6-8-10-17)24-19(25)14(3)11-15(4)27-20(21,22)23/h6-11,13,18H,4-5,12H2,1-3H3,(H,24,25).
What are the key properties of 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide?
2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide has a molecular weight of 383.41 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-phenylmethoxypent-1-en-3-yl)-4-(trifluoromethoxy)penta-2,4-dienamide is sourced from PubChem (CID 123749466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).