N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

C13H17F3N2O2 — CID 103205322

IUPACN-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCCN(C(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-20-9-12(19)18(8-4-7-17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2
InChIKeyAOKZIRIMBLKOCO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.95
Rot. Bonds7

About N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205322) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205322
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCCN(C(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-20-9-12(19)18(8-4-7-17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2
InChIKeyAOKZIRIMBLKOCO-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205332
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359
4-[N-(2,2,2-trifluoroethoxycarbonyl)anilino]butanoic acid
CID 61170013
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
CID 59966866
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
2-(2-aminoethoxy)-N-benzyl-N-phenylacetamide
CID 79480179
N-(3-aminopropyl)-N-(2-methylphenyl)-2-propoxyacetamide
CID 107937233
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-2-(3-ethoxycyclobutyl)-N-phenylacetamide
CID 103161343

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205322) is N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is NCCCN(C(=O)COCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AOKZIRIMBLKOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)10-20-9-12(19)18(8-4-7-17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2.
What are the key properties of N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).