N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide

C8H14F3N3O2 — CID 43089158

IUPACN-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-12-7(16)14-6(15)5(2)13-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyRPUHGTYKJNPUMU-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.37
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide

N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089158) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089158
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-12-7(16)14-6(15)5(2)13-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H2,12,14,15,16)
InChIKeyRPUHGTYKJNPUMU-UHFFFAOYSA-N
XLogP0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2968525
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3238722
5-(Trifluoromethyl)imidazolidine-2,4-dione
CID 45120815
2,2,2-trifluoro-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 331263
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 4213540
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-amino-1-oxopropan-2-yl)-3,3,3-trifluoropropanamide
CID 21865721
N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62728423
(S)-N-(2-aminoethyl)-2-(2,2,2-trifluoroacetamido)butanamide
CID 86654760

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089158) is N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide is CCNC(=O)NC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is RPUHGTYKJNPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-3-12-7(16)14-6(15)5(2)13-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H2,12,14,15,16).
What are the key properties of N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide?
N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43089158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).