(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

C17H25F3N2O2 — CID 95636315

IUPAC(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCCOCc1ccc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C17H25F3N2O2/c1-4-24-10-14-7-5-13(6-8-14)9-21-16(23)15(12(2)3)22-11-17(18,19)20/h5-8,12,15,22H,4,9-11H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyNXZAMNZUZCLJBB-HNNXBMFYSA-N
MW346.39 g/mol
LogP3.02
Rot. Bonds9

About (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 95636315) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
PubChem CID95636315
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCCOCc1ccc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C17H25F3N2O2/c1-4-24-10-14-7-5-13(6-8-14)9-21-16(23)15(12(2)3)22-11-17(18,19)20/h5-8,12,15,22H,4,9-11H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyNXZAMNZUZCLJBB-HNNXBMFYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42955486
2-chloro-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 24598999
3-methyl-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 46699905
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
3-amino-2-methyl-3-phenyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 119699216
4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (CID 95636315) is (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is CCOCc1ccc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc1.
What is the InChIKey of (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is NXZAMNZUZCLJBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-4-24-10-14-7-5-13(6-8-14)9-21-16(23)15(12(2)3)22-11-17(18,19)20/h5-8,12,15,22H,4,9-11H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 346.39 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 95636315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).