2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C17H25F3N2O — CID 78818494

IUPAC2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCc1ccc(C(NCC(=O)NCC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C17H25F3N2O/c1-4-5-13-6-8-14(9-7-13)16(12(2)3)21-10-15(23)22-11-17(18,19)20/h6-9,12,16,21H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyWIVGLUBDXNHYLJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.60
Rot. Bonds8

About 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78818494) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78818494
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCc1ccc(C(NCC(=O)NCC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C17H25F3N2O/c1-4-5-13-6-8-14(9-7-13)16(12(2)3)21-10-15(23)22-11-17(18,19)20/h6-9,12,16,21H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyWIVGLUBDXNHYLJ-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78818494) is 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCc1ccc(C(NCC(=O)NCC(F)(F)F)C(C)C)cc1.
What is the InChIKey of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WIVGLUBDXNHYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-4-5-13-6-8-14(9-7-13)16(12(2)3)21-10-15(23)22-11-17(18,19)20/h6-9,12,16,21H,4-5,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78818494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).