2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C13H23F3N2O — CID 116676497

IUPAC2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)C1CNC1
InChIInChI=1S/C13H23F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h9-11,17H,4-8H2,1-3H3
InChIKeyOWHPAZSEQIKJRQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds6

About 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676497) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676497
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)C1CNC1
InChIInChI=1S/C13H23F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h9-11,17H,4-8H2,1-3H3
InChIKeyOWHPAZSEQIKJRQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
2-(azetidin-3-yl)-N-butan-2-yl-N-ethylpropanamide
CID 116674787
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54872289
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690
2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
CID 116674919
2-(azetidin-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64610975
(2R,5S)-5-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944891
1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 54872186
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 116676497) is 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)N(CC(F)(F)F)C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OWHPAZSEQIKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).