N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide

C17H23F3N2O3 — CID 10247937

IUPACN-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESCO[C@@H]1O[C@@H](CN(C(=O)C(F)(F)F)[C@@H](C)c2ccccc2)CC[C@@H]1N
InChIInChI=1S/C17H23F3N2O3/c1-11(12-6-4-3-5-7-12)22(16(23)17(18,19)20)10-13-8-9-14(21)15(24-2)25-13/h3-7,11,13-15H,8-10,21H2,1-2H3/t11-,13+,14-,15+/m0/s1
InChIKeyHZXVUABXAAJXMV-PMOUVXMZSA-N
MW360.38 g/mol
LogP2.62
Rot. Bonds5

About N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide

N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 10247937) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide
PubChem CID10247937
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide
SMILESCO[C@@H]1O[C@@H](CN(C(=O)C(F)(F)F)[C@@H](C)c2ccccc2)CC[C@@H]1N
InChIInChI=1S/C17H23F3N2O3/c1-11(12-6-4-3-5-7-12)22(16(23)17(18,19)20)10-13-8-9-14(21)15(24-2)25-13/h3-7,11,13-15H,8-10,21H2,1-2H3/t11-,13+,14-,15+/m0/s1
InChIKeyHZXVUABXAAJXMV-PMOUVXMZSA-N
XLogP2.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11697647
2,2,2-trifluoro-N-[[(2S,5E,6S)-5-hydroxyimino-6-methoxyoxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide
CID 134886075
2,2,2-trifluoro-N-[[(2S,5R,6S)-5-(hydroxyamino)-6-methoxyoxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide
CID 134886158
N-[[(2S,5R,6S)-5-acetamido-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 134886159
N-[[(2S,5R,6S)-5-azido-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 9977420
N-[(2R,3R,4S,6S)-3-benzyl-3,6-dimethoxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 57202441
cis(+/-)-N-benzyl-3-(2,2-difluoroethoxy)-1-(trifluoroacetyl)piperidin-4-amine
CID 86648633
1-[(3S,4R)-4-(benzylamino)-3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 87445552
1-[4-(Benzylamino)-3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 87445553
N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide
CID 90005415
N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
CID 118287479
2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide
CID 121416204

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide (CID 10247937) is N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide is CO[C@@H]1O[C@@H](CN(C(=O)C(F)(F)F)[C@@H](C)c2ccccc2)CC[C@@H]1N.
What is the InChIKey of N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is HZXVUABXAAJXMV-PMOUVXMZSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-11(12-6-4-3-5-7-12)22(16(23)17(18,19)20)10-13-8-9-14(21)15(24-2)25-13/h3-7,11,13-15H,8-10,21H2,1-2H3/t11-,13+,14-,15+/m0/s1.
What are the key properties of N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide?
N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S,6R)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 10247937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).