(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide

C17H23F3N2O4 — CID 25172421

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O4/c1-16(2,10-23)14(25)15(26)21-8-7-13(24)22-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,14,23,25H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t14-/m0/s1
InChIKeyQEADTGRUSWJZBM-AWEZNQCLSA-N
MW376.38 g/mol
LogP1.21
Rot. Bonds8

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide (PubChem CID 25172421) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide
PubChem CID25172421
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O4/c1-16(2,10-23)14(25)15(26)21-8-7-13(24)22-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,14,23,25H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t14-/m0/s1
InChIKeyQEADTGRUSWJZBM-AWEZNQCLSA-N
XLogP1.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide (CID 25172421) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide is CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide?
The InChIKey is QEADTGRUSWJZBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23F3N2O4/c1-16(2,10-23)14(25)15(26)21-8-7-13(24)22-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,14,23,25H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide has a molecular weight of 376.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]butanamide is sourced from PubChem (CID 25172421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).