ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate

C20H22F3NO2 — CID 178178540

IUPACethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
SMILESCCOC(=O)[C@H](NC[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H22F3NO2/c1-3-26-19(25)18(16-7-5-4-6-8-16)24-13-14(2)15-9-11-17(12-10-15)20(21,22)23/h4-12,14,18,24H,3,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyJZRURVVRKRZCQM-RDTXWAMCSA-N
MW365.40 g/mol
LogP4.70
Rot. Bonds7

About ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate

ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate (PubChem CID 178178540) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
PubChem CID178178540
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Nameethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
SMILESCCOC(=O)[C@H](NC[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H22F3NO2/c1-3-26-19(25)18(16-7-5-4-6-8-16)24-13-14(2)15-9-11-17(12-10-15)20(21,22)23/h4-12,14,18,24H,3,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyJZRURVVRKRZCQM-RDTXWAMCSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
(2R)-N-(5-iodo-2-pyridinyl)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 178178544
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 61001442
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7355478
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The IUPAC name of ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate (CID 178178540) is ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate.
What is the SMILES notation for ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The canonical SMILES for ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate is CCOC(=O)[C@H](NC[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The InChIKey is JZRURVVRKRZCQM-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-3-26-19(25)18(16-7-5-4-6-8-16)24-13-14(2)15-9-11-17(12-10-15)20(21,22)23/h4-12,14,18,24H,3,13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate has a molecular weight of 365.40 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate is sourced from PubChem (CID 178178540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).