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

C29H30F6N2O3 — CID 19049343

IUPAC2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F6N2O3/c1-39-13-12-36-26(38)17-37-25(27(21-8-4-2-5-9-21)22-10-6-3-7-11-22)19-40-18-20-14-23(28(30,31)32)16-24(15-20)29(33,34)35/h2-11,14-16,25,27,37H,12-13,17-19H2,1H3,(H,36,38)
InChIKeyQYVSSSDIPNYJLX-UHFFFAOYSA-N
MW568.56 g/mol
LogP5.79
Rot. Bonds13

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

2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 19049343) has the molecular formula C29H30F6N2O3 and a molecular weight of 568.56 g/mol. Its IUPAC name is 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID19049343
Molecular FormulaC29H30F6N2O3
Molecular Weight568.56 g/mol
Exact Mass568.22
IUPAC Name2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F6N2O3/c1-39-13-12-36-26(38)17-37-25(27(21-8-4-2-5-9-21)22-10-6-3-7-11-22)19-40-18-20-14-23(28(30,31)32)16-24(15-20)29(33,34)35/h2-11,14-16,25,27,37H,12-13,17-19H2,1H3,(H,36,38)
InChIKeyQYVSSSDIPNYJLX-UHFFFAOYSA-N
XLogP5.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.56
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide (CID 19049343) is 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is QYVSSSDIPNYJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F6N2O3/c1-39-13-12-36-26(38)17-37-25(27(21-8-4-2-5-9-21)22-10-6-3-7-11-22)19-40-18-20-14-23(28(30,31)32)16-24(15-20)29(33,34)35/h2-11,14-16,25,27,37H,12-13,17-19H2,1H3,(H,36,38).
What are the key properties of 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide?
2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 568.56 g/mol, XLogP of 5.79, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19049343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).