N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide

C14H19F3N2O2 — CID 43567720

IUPACN-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)8-18-10(3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyJRSNWFVHJSYLNH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.76
Rot. Bonds6

About N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide

N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide (PubChem CID 43567720) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
PubChem CID43567720
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)8-18-10(3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyJRSNWFVHJSYLNH-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 115576057
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide (CID 43567720) is N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide is CC(C)NC(=O)CNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide?
The InChIKey is JRSNWFVHJSYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)8-18-10(3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20).
What are the key properties of N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide?
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide is sourced from PubChem (CID 43567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).