2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide

C14H20F3N3O — CID 119855322

IUPAC2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
SMILESCN(CCCNC(=O)C(N)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-20(10-14(15,16)17)9-5-8-19-13(21)12(18)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,18H2,1H3,(H,19,21)
InChIKeyJMRZFQFPOUCNQV-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.69
Rot. Bonds7

About 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide

2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide (PubChem CID 119855322) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
PubChem CID119855322
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
SMILESCN(CCCNC(=O)C(N)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-20(10-14(15,16)17)9-5-8-19-13(21)12(18)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,18H2,1H3,(H,19,21)
InChIKeyJMRZFQFPOUCNQV-UHFFFAOYSA-N
XLogP1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
CID 120669782
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
2-amino-N-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-phenylacetamide
CID 119892857
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide (CID 119855322) is 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide is CN(CCCNC(=O)C(N)c1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide?
The InChIKey is JMRZFQFPOUCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20(10-14(15,16)17)9-5-8-19-13(21)12(18)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide?
2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide has a molecular weight of 303.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide is sourced from PubChem (CID 119855322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).