ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide

C16H25F3N2O3 — CID 156716619

IUPACethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide
SMILESCC.CC(C)=C/C(=C\NC=O)C(=O)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O3.C2H6/c1-10(2)5-11(7-18-9-20)13(21)19-3-4-22-12(8-19)6-14(15,16)17;1-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,18,20);1-2H3/b11-7+;
InChIKeyMCQKCXSJKJQGIH-RVDQCCQOSA-N
MW350.38 g/mol
LogP2.79
Rot. Bonds5

About ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide

ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide (PubChem CID 156716619) has the molecular formula C16H25F3N2O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide.

Molecular Properties

Compound Nameethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide
PubChem CID156716619
Molecular FormulaC16H25F3N2O3
Molecular Weight350.38 g/mol
Exact Mass350.18
IUPAC Nameethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide
SMILESCC.CC(C)=C/C(=C\NC=O)C(=O)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O3.C2H6/c1-10(2)5-11(7-18-9-20)13(21)19-3-4-22-12(8-19)6-14(15,16)17;1-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,18,20);1-2H3/b11-7+;
InChIKeyMCQKCXSJKJQGIH-RVDQCCQOSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide?
The IUPAC name of ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide (CID 156716619) is ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide.
What is the SMILES notation for ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide?
The canonical SMILES for ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide is CC.CC(C)=C/C(=C\NC=O)C(=O)N1CCOC(CC(F)(F)F)C1.
What is the InChIKey of ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide?
The InChIKey is MCQKCXSJKJQGIH-RVDQCCQOSA-N. The full InChI is InChI=1S/C14H19F3N2O3.C2H6/c1-10(2)5-11(7-18-9-20)13(21)19-3-4-22-12(8-19)6-14(15,16)17;1-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,18,20);1-2H3/b11-7+;.
What are the key properties of ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide?
ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide has a molecular weight of 350.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E)-4-methyl-2-[2-(2,2,2-trifluoroethyl)morpholine-4-carbonyl]penta-1,3-dienyl]formamide is sourced from PubChem (CID 156716619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).