(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide

C15H20F3N3O3 — CID 97245219

IUPAC(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](NC(=O)CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H20F3N3O3/c1-19-14(24)13(11-5-3-2-4-6-11)20-12(23)9-21(7-8-22)10-15(16,17)18/h2-6,13,22H,7-10H2,1H3,(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyHBFREUGHVFOIGJ-ZDUSSCGKSA-N
MW347.34 g/mol
LogP0.45
Rot. Bonds8

About (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 97245219) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID97245219
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](NC(=O)CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H20F3N3O3/c1-19-14(24)13(11-5-3-2-4-6-11)20-12(23)9-21(7-8-22)10-15(16,17)18/h2-6,13,22H,7-10H2,1H3,(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyHBFREUGHVFOIGJ-ZDUSSCGKSA-N
XLogP0.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Semagacestat
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N-cyclohexyl-2-[(2,2-dimethoxyethyl)(methyl)amino]-2-phenylacetamide
CID 4595109
N-[2-[[(2S,3S)-3-hydroxy-1-(2-methylpropylamino)hexan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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Dle-phe-fba
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N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3s,7r)-1-Methyl-2-Oxo-7-Phenyl-2,3,4,7-Tetrahydro-1h-Azepin-3-Yl]-L-Alaninamide
CID 10071994
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide (CID 97245219) is (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](NC(=O)CN(CCO)CC(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is HBFREUGHVFOIGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-19-14(24)13(11-5-3-2-4-6-11)20-12(23)9-21(7-8-22)10-15(16,17)18/h2-6,13,22H,7-10H2,1H3,(H,19,24)(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide?
(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 347.34 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 97245219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).