N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C15H21F3N2O — CID 78958322

IUPACN-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-20(14(21)11-19-12-15(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,19H,5-6,9-12H2,1H3
InChIKeyLEXIUMAJCSHJPB-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.62
Rot. Bonds8

About N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958322) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958322
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-20(14(21)11-19-12-15(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,19H,5-6,9-12H2,1H3
InChIKeyLEXIUMAJCSHJPB-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958541
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
2-(cyclopropylamino)-N-methyl-N-(3-phenylpropyl)acetamide
CID 54924181
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958322) is N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(CCCCc1ccccc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LEXIUMAJCSHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-20(14(21)11-19-12-15(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,19H,5-6,9-12H2,1H3.
What are the key properties of N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).