[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate

C19H25F3N2O4 — CID 30393194

IUPAC[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C19H25F3N2O4/c1-13(23-17(27)18(2,3)4)16(26)28-11-15(25)24(12-19(20,21)22)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeyCSGRGLFDXULEAW-CYBMUJFWSA-N
MW402.41 g/mol
LogP2.67
Rot. Bonds7

About [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate

[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 30393194) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Name[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID30393194
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Name[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C19H25F3N2O4/c1-13(23-17(27)18(2,3)4)16(26)28-11-15(25)24(12-19(20,21)22)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeyCSGRGLFDXULEAW-CYBMUJFWSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate with MolForge

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Related Compounds

(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 134410908
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 30995401
N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 43047484
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
benzyl (2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoate
CID 165166794
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
phenyl (2S)-2-(dibenzylcarbamoylamino)propanoate
CID 54544235
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926275

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate (CID 30393194) is [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate is C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is CSGRGLFDXULEAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c1-13(23-17(27)18(2,3)4)16(26)28-11-15(25)24(12-19(20,21)22)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,23,27)/t13-/m1/s1.
What are the key properties of [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 402.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 30393194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).