2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide

C24H25F3N2O2 — CID 86288680

IUPAC2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](OCC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C24H25F3N2O2/c1-28-14-21(20-12-11-17-7-5-6-10-19(17)13-20)23(18-8-3-2-4-9-18)31-15-22(30)29-16-24(25,26)27/h2-13,21,23,28H,14-16H2,1H3,(H,29,30)/t21-,23-/m1/s1
InChIKeyVVEOTOZPPUCLKX-FYYLOGMGSA-N
MW430.47 g/mol
LogP4.58
Rot. Bonds9

About 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86288680) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86288680
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](OCC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C24H25F3N2O2/c1-28-14-21(20-12-11-17-7-5-6-10-19(17)13-20)23(18-8-3-2-4-9-18)31-15-22(30)29-16-24(25,26)27/h2-13,21,23,28H,14-16H2,1H3,(H,29,30)/t21-,23-/m1/s1
InChIKeyVVEOTOZPPUCLKX-FYYLOGMGSA-N
XLogP4.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 86288680) is 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide is CNC[C@H](c1ccc2ccccc2c1)[C@H](OCC(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VVEOTOZPPUCLKX-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-28-14-21(20-12-11-17-7-5-6-10-19(17)13-20)23(18-8-3-2-4-9-18)31-15-22(30)29-16-24(25,26)27/h2-13,21,23,28H,14-16H2,1H3,(H,29,30)/t21-,23-/m1/s1.
What are the key properties of 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 430.47 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86288680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).