(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide

C12H22F2N2O2 — CID 171593892

IUPAC(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-8(10(15)11(17)16-2)18-7-9-3-5-12(13,14)6-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17)/t8-,10+/m1/s1
InChIKeyCKDWGXZDJFUGOW-SCZZXKLOSA-N
MW264.32 g/mol
LogP1.29
Rot. Bonds5

About (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide

(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 171593892) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
PubChem CID171593892
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-8(10(15)11(17)16-2)18-7-9-3-5-12(13,14)6-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17)/t8-,10+/m1/s1
InChIKeyCKDWGXZDJFUGOW-SCZZXKLOSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
(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-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
CID 164604591
(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
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-1-one
CID 164605044

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide (CID 171593892) is (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(F)(F)CC1.
What is the InChIKey of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is CKDWGXZDJFUGOW-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-8(10(15)11(17)16-2)18-7-9-3-5-12(13,14)6-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide?
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.29, 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-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 171593892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).