2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide

C10H17F3N4O3 — CID 60947251

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H17F3N4O3/c1-16(2)8(19)4-17(5-10(11,12)13)9(20)6(14)3-7(15)18/h6H,3-5,14H2,1-2H3,(H2,15,18)
InChIKeyLERPGGPHUUBPGH-UHFFFAOYSA-N
MW298.27 g/mol
LogP-1.33
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 60947251) has the molecular formula C10H17F3N4O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID60947251
Molecular FormulaC10H17F3N4O3
Molecular Weight298.27 g/mol
Exact Mass298.13
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H17F3N4O3/c1-16(2)8(19)4-17(5-10(11,12)13)9(20)6(14)3-7(15)18/h6H,3-5,14H2,1-2H3,(H2,15,18)
InChIKeyLERPGGPHUUBPGH-UHFFFAOYSA-N
XLogP-1.33
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61164150
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61163957
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155176
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
N-[2-(dimethylamino)-2-oxoethyl]-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 54876613
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
CID 55008888
N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54872054
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95979819

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide (CID 60947251) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is LERPGGPHUUBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O3/c1-16(2)8(19)4-17(5-10(11,12)13)9(20)6(14)3-7(15)18/h6H,3-5,14H2,1-2H3,(H2,15,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 298.27 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 60947251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).