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

C26H24F6N2O2 — CID 19049368

IUPAC2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide
SMILESNCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24F6N2O2/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-23(35)14-33)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22,24H,14-16,33H2,(H,34,35)
InChIKeySLGFSSNAYBISOS-UHFFFAOYSA-N
MW510.48 g/mol
LogP5.52
Rot. Bonds9

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

2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide (PubChem CID 19049368) has the molecular formula C26H24F6N2O2 and a molecular weight of 510.48 g/mol. Its IUPAC name is 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide
PubChem CID19049368
Molecular FormulaC26H24F6N2O2
Molecular Weight510.48 g/mol
Exact Mass510.17
IUPAC Name2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide
SMILESNCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24F6N2O2/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-23(35)14-33)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22,24H,14-16,33H2,(H,34,35)
InChIKeySLGFSSNAYBISOS-UHFFFAOYSA-N
XLogP5.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide);oxalic acid
CID 173329831
methyl 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]oxyacetate
CID 86749907
tert-butyl N-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]carbamate
CID 22859116
[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-phenylcarbamic acid
CID 87304832
ethyl 4-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]carbamoyl]benzoate
CID 87306026
2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetic acid
CID 10141196
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
[3,5-bis(trifluoromethyl)phenyl]methyl benzoate
CID 529787
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215
(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
CID 11625637
1-[2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]amino]-2-oxoethyl]-2-ethylpiperidine-4-carboxylic acid
CID 87787011
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide
CID 87306390

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide (CID 19049368) is 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide is NCC(=O)NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide?
The InChIKey is SLGFSSNAYBISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2O2/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-23(35)14-33)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22,24H,14-16,33H2,(H,34,35).
What are the key properties of 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide?
2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide has a molecular weight of 510.48 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]acetamide is sourced from PubChem (CID 19049368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).