N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide

C9H14F3N3O2 — CID 113230182

IUPACN-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-15(4-7(16)14-6-2-3-6)8(17)13-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyXXIGLQJGTSHRBG-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.47
Rot. Bonds4

About N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide

N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide (PubChem CID 113230182) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
PubChem CID113230182
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-15(4-7(16)14-6-2-3-6)8(17)13-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyXXIGLQJGTSHRBG-UHFFFAOYSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431044
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788605
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797261
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
1-(2-chloroethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 106441672
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide (CID 113230182) is N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide is CN(CC(=O)NC1CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The InChIKey is XXIGLQJGTSHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-15(4-7(16)14-6-2-3-6)8(17)13-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide has a molecular weight of 253.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide is sourced from PubChem (CID 113230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).