2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O — CID 113251353

IUPAC2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(4-5-10)6-15-8(2)9(17)16-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyILXBVWSXZPNPKB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds6

About 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113251353) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113251353
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(4-5-10)6-15-8(2)9(17)16-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyILXBVWSXZPNPKB-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
N,N,3,3-tetramethyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907235
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
N-cyclohexyl-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907277
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 72133199
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
N-ethyl-4,4-difluoro-3,3-dimethylpyrrolidine-2-carboxamide
CID 21043058
(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 53733314
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
CID 58821518
(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 59461057
(2S)-4,4-Difluoro-3,3-dimethyl-pyrrolidine-2-carboxylic acid ethylamide
CID 69540119

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 113251353) is 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CCC1(CNC(C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ILXBVWSXZPNPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-10(4-5-10)6-15-8(2)9(17)16-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113251353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).