N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide

C29H31N3O2S — CID 26278030

About N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide

N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide (PubChem CID 26278030) has the molecular formula C29H31N3O2S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
• PubChem CID: 26278030
• Molecular Formula: C29H31N3O2S
• Molecular Weight: 485.65 g/mol
• Exact Mass: 485.21
• IUPAC Name: N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
• SMILES: C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)Oc1cccc(CN(C)Cc2cscn2)c1
• InChI: InChI=1S/C29H31N3O2S/c1-22(34-27-15-9-10-23(16-27)18-32(2)19-26-20-35-21-31-26)17-30-29(33)28(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,20-22,28H,17-19H2,1-2H3,(H,30,33)/t22-/m1/s1
• InChIKey: MYFYMGYDTRHSTK-JOCHJYFZSA-N
• XLogP: 5.49
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.65
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide?

The IUPAC name of N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide (CID 26278030) is N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide?

The canonical SMILES for N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide is C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)Oc1cccc(CN(C)Cc2cscn2)c1.

What is the InChIKey of N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide?

The InChIKey is MYFYMGYDTRHSTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H31N3O2S/c1-22(34-27-15-9-10-23(16-27)18-32(2)19-26-20-35-21-31-26)17-30-29(33)28(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,20-22,28H,17-19H2,1-2H3,(H,30,33)/t22-/m1/s1.

What are the key properties of N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide?

N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide has a molecular weight of 485.65 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 26278030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).