methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate

C27H25F6NO3 — CID 19049317

IUPACmethyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate
SMILESCOC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25F6NO3/c1-36-24(35)15-34-23(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)17-37-16-18-12-21(26(28,29)30)14-22(13-18)27(31,32)33/h2-14,23,25,34H,15-17H2,1H3
InChIKeyDWCWUEUNBKXVEJ-UHFFFAOYSA-N
MW525.49 g/mol
LogP6.20
Rot. Bonds10

About methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate

methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate (PubChem CID 19049317) has the molecular formula C27H25F6NO3 and a molecular weight of 525.49 g/mol. Its IUPAC name is methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate
PubChem CID19049317
Molecular FormulaC27H25F6NO3
Molecular Weight525.49 g/mol
Exact Mass525.17
IUPAC Namemethyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate
SMILESCOC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25F6NO3/c1-36-24(35)15-34-23(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)17-37-16-18-12-21(26(28,29)30)14-22(13-18)27(31,32)33/h2-14,23,25,34H,15-17H2,1H3
InChIKeyDWCWUEUNBKXVEJ-UHFFFAOYSA-N
XLogP6.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate (CID 19049317) is methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate is COC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate?
The InChIKey is DWCWUEUNBKXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO3/c1-36-24(35)15-34-23(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)17-37-16-18-12-21(26(28,29)30)14-22(13-18)27(31,32)33/h2-14,23,25,34H,15-17H2,1H3.
What are the key properties of methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate?
methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate has a molecular weight of 525.49 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]acetate is sourced from PubChem (CID 19049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).