2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 103742229

IUPAC2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C)CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)3-5-19-6-4-11/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRPMFIRWCTUOQJA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds5

About 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103742229) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103742229
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C)CCOCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)3-5-19-6-4-11/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRPMFIRWCTUOQJA-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164555847
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
2-(oxan-4-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 63711853
6-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64879313
3-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64880781
N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958422
N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261536
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-3-yl)propanamide
CID 79810792
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 79812126
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 79812234
N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 84594971

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103742229) is 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1(C)CCOCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RPMFIRWCTUOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)3-5-19-6-4-11/h9,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103742229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).