3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide

C25H25F3N2O4 — CID 42366710

About 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide

3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide (PubChem CID 42366710) has the molecular formula C25H25F3N2O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
• PubChem CID: 42366710
• Molecular Formula: C25H25F3N2O4
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.18
• IUPAC Name: 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
• SMILES: COc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3ccco3)C(F)(F)F)CCC(=O)N2)c2ccccc12
• InChI: InChI=1S/C25H25F3N2O4/c1-33-19-9-8-16(17-5-2-3-6-18(17)19)15-24(13-11-22(32)30-24)12-10-21(31)29-23(25(26,27)28)20-7-4-14-34-20/h2-9,14,23H,10-13,15H2,1H3,(H,29,31)(H,30,32)/t23-,24+/m0/s1
• InChIKey: CDAKWUZIZWNSFH-BJKOFHAPSA-N
• XLogP: 4.83
• TPSA: 80.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide?

The IUPAC name of 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide (CID 42366710) is 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide.

What is the SMILES notation for 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide?

The canonical SMILES for 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide is COc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3ccco3)C(F)(F)F)CCC(=O)N2)c2ccccc12.

What is the InChIKey of 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide?

The InChIKey is CDAKWUZIZWNSFH-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H25F3N2O4/c1-33-19-9-8-16(17-5-2-3-6-18(17)19)15-24(13-11-22(32)30-24)12-10-21(31)29-23(25(26,27)28)20-7-4-14-34-20/h2-9,14,23H,10-13,15H2,1H3,(H,29,31)(H,30,32)/t23-,24+/m0/s1.

What are the key properties of 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide?

3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide has a molecular weight of 474.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 42366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).