2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

C11H19F3N2O2 — CID 79812018

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(17)16(2)6-8-4-3-5-18-7-8/h8H,3-7,15H2,1-2H3
InChIKeyWWDRWMMGFCERQW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (PubChem CID 79812018) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
PubChem CID79812018
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(17)16(2)6-8-4-3-5-18-7-8/h8H,3-7,15H2,1-2H3
InChIKeyWWDRWMMGFCERQW-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79810672
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
CID 55227786
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 78949570
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (CID 79812018) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is CN(CC1CCCOC1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is WWDRWMMGFCERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(17)16(2)6-8-4-3-5-18-7-8/h8H,3-7,15H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 79812018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).