2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide

C15H18F3N3O2 — CID 27242913

IUPAC2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-3-8-19-14(23)20-13(22)10-21(2)9-11-4-6-12(7-5-11)15(16,17)18/h3-7H,1,8-10H2,2H3,(H2,19,20,22,23)
InChIKeyHIQOLHALCOMNNF-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.15
Rot. Bonds6

About 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide

2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 27242913) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID27242913
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-3-8-19-14(23)20-13(22)10-21(2)9-11-4-6-12(7-5-11)15(16,17)18/h3-7H,1,8-10H2,2H3,(H2,19,20,22,23)
InChIKeyHIQOLHALCOMNNF-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(benzylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 27242893
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 34124823
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 112800287
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide (CID 27242913) is 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is HIQOLHALCOMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-3-8-19-14(23)20-13(22)10-21(2)9-11-4-6-12(7-5-11)15(16,17)18/h3-7H,1,8-10H2,2H3,(H2,19,20,22,23).
What are the key properties of 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 329.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 27242913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).