(2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C28H29F3N2O2 — CID 69045330

About (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69045330) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 69045330
• Molecular Formula: C28H29F3N2O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCO2)c1ccccc1
• InChI: InChI=1S/C28H29F3N2O2/c1-32-27(34)26(20-6-3-2-4-7-20)33-16-15-24(19-9-12-23(13-10-19)28(29,30)31)21-11-14-25-22(18-21)8-5-17-35-25/h2-4,6-7,9-14,18,24,26,33H,5,8,15-17H2,1H3,(H,32,34)/t24-,26+/m0/s1
• InChIKey: VGFYROQBMPMBGV-AZGAKELHSA-N
• XLogP: 5.63
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The IUPAC name of (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 69045330) is (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The canonical SMILES for (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCO2)c1ccccc1.

What is the InChIKey of (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The InChIKey is VGFYROQBMPMBGV-AZGAKELHSA-N. The full InChI is InChI=1S/C28H29F3N2O2/c1-32-27(34)26(20-6-3-2-4-7-20)33-16-15-24(19-9-12-23(13-10-19)28(29,30)31)21-11-14-25-22(18-21)8-5-17-35-25/h2-4,6-7,9-14,18,24,26,33H,5,8,15-17H2,1H3,(H,32,34)/t24-,26+/m0/s1.

What are the key properties of (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

(2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 482.55 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).