N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide

C34H35F4N3O5 — CID 142798372

About N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide

N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide (PubChem CID 142798372) has the molecular formula C34H35F4N3O5 and a molecular weight of 641.66 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide
• PubChem CID: 142798372
• Molecular Formula: C34H35F4N3O5
• Molecular Weight: 641.66 g/mol
• Exact Mass: 641.25
• IUPAC Name: N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide
• SMILES: CCOc1cc(COc2cncc(-c3ccc(CC(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)c(F)c3)c2)ccc1OC
• InChI: InChI=1S/C34H35F4N3O5/c1-5-44-32-12-22(6-9-31(32)43-4)21-46-29-13-25(19-39-20-29)23-7-8-24(30(35)14-23)15-33(42)40-27-16-26(34(36,37)38)17-28(18-27)45-11-10-41(2)3/h6-9,12-14,16-20H,5,10-11,15,21H2,1-4H3,(H,40,42)
• InChIKey: AYBUONPKVUHUAV-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.66
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide?

The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide (CID 142798372) is N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide?

The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide is CCOc1cc(COc2cncc(-c3ccc(CC(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)c(F)c3)c2)ccc1OC.

What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide?

The InChIKey is AYBUONPKVUHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F4N3O5/c1-5-44-32-12-22(6-9-31(32)43-4)21-46-29-13-25(19-39-20-29)23-7-8-24(30(35)14-23)15-33(42)40-27-16-26(34(36,37)38)17-28(18-27)45-11-10-41(2)3/h6-9,12-14,16-20H,5,10-11,15,21H2,1-4H3,(H,40,42).

What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide?

N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide has a molecular weight of 641.66 g/mol, XLogP of 7.01, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-2-[4-[5-[(3-ethoxy-4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 142798372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).