(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide

C13H23F3N2O2 — CID 164604591

IUPAC(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-8(11(17)12(19)18-2)20-7-9-3-5-10(6-4-9)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11+/m1/s1
InChIKeyMGDVJNSGISVHJP-SFXRXQKFSA-N
MW296.33 g/mol
LogP1.83
Rot. Bonds5

About (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide

(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide (PubChem CID 164604591) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
PubChem CID164604591
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-8(11(17)12(19)18-2)20-7-9-3-5-10(6-4-9)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11+/m1/s1
InChIKeyMGDVJNSGISVHJP-SFXRXQKFSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 164604915
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)butan-1-one
CID 164604981
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-1-one
CID 164605044
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170755478
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
CID 171593892
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
CID 171594257
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 171594285
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide (CID 164604591) is (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide?
The InChIKey is MGDVJNSGISVHJP-SFXRXQKFSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-8(11(17)12(19)18-2)20-7-9-3-5-10(6-4-9)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide?
(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide is sourced from PubChem (CID 164604591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).