2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide

C33H33F3N2O2 — CID 10280681

IUPAC2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H33F3N2O2/c34-33(35,36)29-16-7-11-26(20-29)23-38(18-9-19-40-30-17-8-10-25(21-30)22-32(37)39)24-31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,10-17,20-21,31H,9,18-19,22-24H2,(H2,37,39)
InChIKeyPVSVRPXIFWFGJY-UHFFFAOYSA-N
MW546.63 g/mol
LogP6.84
Rot. Bonds13

About 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide

2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide (PubChem CID 10280681) has the molecular formula C33H33F3N2O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
PubChem CID10280681
Molecular FormulaC33H33F3N2O2
Molecular Weight546.63 g/mol
Exact Mass546.25
IUPAC Name2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H33F3N2O2/c34-33(35,36)29-16-7-11-26(20-29)23-38(18-9-19-40-30-17-8-10-25(21-30)22-32(37)39)24-31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,10-17,20-21,31H,9,18-19,22-24H2,(H2,37,39)
InChIKeyPVSVRPXIFWFGJY-UHFFFAOYSA-N
XLogP6.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-{3-[(2,2-Diphenylethyl)[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetamide
CID 10143034
2-(3-{3-[(2,2-Diphenylethyl)[(4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetamide
CID 10164424
2-[3-(3-{[(2,4-Dimethoxyphenyl)methyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetamide
CID 10230558
2-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetamide
CID 10231936
2-(3-{3-[(2,2-Diphenylethyl)[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetamide
CID 10301876
2-(3-{3-[(2,2-Diphenylethyl)({[4-fluoro-3-(trifluoromethyl)phenyl]methyl})amino]propoxy}phenyl)acetamide
CID 11813747
4-[3-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
CID 14407137
2-[3-[3-[[2-Chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)azaniumyl]propoxy]phenyl]acetate
CID 72199895
3-[3-(Carboxymethyl)phenoxy]propyl-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-(2,2-diphenylethyl)azanium
CID 78224549
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532594
N-[4-[4-(1-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532834
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
CID 118705883

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide (CID 10280681) is 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide is NC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The InChIKey is PVSVRPXIFWFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N2O2/c34-33(35,36)29-16-7-11-26(20-29)23-38(18-9-19-40-30-17-8-10-25(21-30)22-32(37)39)24-31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,10-17,20-21,31H,9,18-19,22-24H2,(H2,37,39).
What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide has a molecular weight of 546.63 g/mol, XLogP of 6.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10280681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).