2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide

C18H24F3NO — CID 139250992

IUPAC2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide
SMILESC/C=C/[C@@H](CC(C)C)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-4-8-16(13-14(2)3)22(17(23)18(19,20)21)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-4+/t16-/m0/s1
InChIKeyXOIDZCOBNNSKTA-YCOJEUHLSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds7

About 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide

2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 139250992) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID139250992
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide
SMILESC/C=C/[C@@H](CC(C)C)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-4-8-16(13-14(2)3)22(17(23)18(19,20)21)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-4+/t16-/m0/s1
InChIKeyXOIDZCOBNNSKTA-YCOJEUHLSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide (CID 139250992) is 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide is C/C=C/[C@@H](CC(C)C)N(CCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is XOIDZCOBNNSKTA-YCOJEUHLSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-4-8-16(13-14(2)3)22(17(23)18(19,20)21)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-4+/t16-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide?
2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 327.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 139250992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).