2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O3 — CID 106297591

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1(CO)CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(9(18)15-6-11(12,13)14)16-10(7-17)2-4-19-5-3-10/h8,16-17H,2-7H2,1H3,(H,15,18)
InChIKeyLXOHVYSMOCOPDI-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.18
Rot. Bonds5

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106297591) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106297591
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1(CO)CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(9(18)15-6-11(12,13)14)16-10(7-17)2-4-19-5-3-10/h8,16-17H,2-7H2,1H3,(H,15,18)
InChIKeyLXOHVYSMOCOPDI-UHFFFAOYSA-N
XLogP0.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62517442
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261786
3,3,3-Trifluoro-2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]propanoic acid
CID 79789425
2-amino-3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpropanamide
CID 81130377
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103774850
4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide
CID 103845769
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 103864979
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104630718
N-(oxan-4-yl)-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 105644943
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106159575
2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106161081
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106175113

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106297591) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1(CO)CCOCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LXOHVYSMOCOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(9(18)15-6-11(12,13)14)16-10(7-17)2-4-19-5-3-10/h8,16-17H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106297591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).