(2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide

C26H29FN2O — CID 68766934

About (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide

(2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide (PubChem CID 68766934) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide
• PubChem CID: 68766934
• Molecular Formula: C26H29FN2O
• Molecular Weight: 404.53 g/mol
• Exact Mass: 404.23
• IUPAC Name: (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(CC[C@@H](N[C@H](C(N)=O)c2ccc(C)cc2)c2ccc(F)c(C)c2)cc1
• InChI: InChI=1S/C26H29FN2O/c1-17-4-8-20(9-5-17)10-15-24(22-13-14-23(27)19(3)16-22)29-25(26(28)30)21-11-6-18(2)7-12-21/h4-9,11-14,16,24-25,29H,10,15H2,1-3H3,(H2,28,30)/t24-,25+/m1/s1
• InChIKey: LKTYPIBAHVOPCS-RPBOFIJWSA-N
• XLogP: 5.24
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.53
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide?

The IUPAC name of (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide (CID 68766934) is (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide.

What is the SMILES notation for (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide?

The canonical SMILES for (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide is Cc1ccc(CC[C@@H](N[C@H](C(N)=O)c2ccc(C)cc2)c2ccc(F)c(C)c2)cc1.

What is the InChIKey of (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide?

The InChIKey is LKTYPIBAHVOPCS-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H29FN2O/c1-17-4-8-20(9-5-17)10-15-24(22-13-14-23(27)19(3)16-22)29-25(26(28)30)21-11-6-18(2)7-12-21/h4-9,11-14,16,24-25,29H,10,15H2,1-3H3,(H2,28,30)/t24-,25+/m1/s1.

What are the key properties of (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide?

(2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 68766934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).