2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide

C9H16F3N3O2 — CID 115575925

IUPAC2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-3-4-13-7(16)5-15(2)8(17)14-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyUXGVCDOFFAHXJI-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.72
Rot. Bonds5

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

2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide (PubChem CID 115575925) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide
PubChem CID115575925
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-3-4-13-7(16)5-15(2)8(17)14-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyUXGVCDOFFAHXJI-UHFFFAOYSA-N
XLogP0.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(methylcarbamoyl)-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 53568356
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
Acetamide, 2,2'-[[(methylamino)carbonyl]imino]bis[N-methyl-
CID 373587
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 97238203
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
CID 54051423
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
CID 59661790
N-[3-(ethylcarbamoylamino)propyl]-2,2,2-trifluoroacetamide
CID 87130104
N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
CID 87130166
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide (CID 115575925) is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide?
The InChIKey is UXGVCDOFFAHXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-3-4-13-7(16)5-15(2)8(17)14-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide?
2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide has a molecular weight of 255.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide is sourced from PubChem (CID 115575925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).