(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C14H25F3N2O3 — CID 124854873

IUPAC(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC(C)(C)C[C@H](CO)NC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)6-10(7-20)18-12(21)11-8-22-5-4-19(11)9-14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyYAORZMGNNLOGEM-GHMZBOCLSA-N
MW326.36 g/mol
LogP1.16
Rot. Bonds5

About (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124854873) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124854873
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Name(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC(C)(C)C[C@H](CO)NC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)6-10(7-20)18-12(21)11-8-22-5-4-19(11)9-14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyYAORZMGNNLOGEM-GHMZBOCLSA-N
XLogP1.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methylpentanoic acid
CID 118236144
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83098130
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098371
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83107201
(3S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100757302
(3R)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100757309
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide
CID 107479287
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 112416550
2-[(2,2-Difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154249
N-(1-hydroxypropan-2-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 119038244
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 119038293
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 121526949

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124854873) is (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is CC(C)(C)C[C@H](CO)NC(=O)[C@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is YAORZMGNNLOGEM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-13(2,3)6-10(7-20)18-12(21)11-8-22-5-4-19(11)9-14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t10-,11-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124854873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).