ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate

C25H30F2N2O4 — CID 167456389

About ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate

ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate (PubChem CID 167456389) has the molecular formula C25H30F2N2O4 and a molecular weight of 460.52 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate
• PubChem CID: 167456389
• Molecular Formula: C25H30F2N2O4
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.22
• IUPAC Name: ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate
• SMILES: CCOC(=O)CC1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1
• InChI: InChI=1S/C25H30F2N2O4/c1-5-32-21(30)12-17-13-25(14-17,19-9-7-6-8-18(19)15(2)3)23(31)29-20-11-10-16(4)28-22(20)33-24(26)27/h6-11,15,17,24H,5,12-14H2,1-4H3,(H,29,31)
• InChIKey: RPXHTYUSHZTTKU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate?

The IUPAC name of ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate (CID 167456389) is ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate.

What is the SMILES notation for ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate?

The canonical SMILES for ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate is CCOC(=O)CC1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1.

What is the InChIKey of ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate?

The InChIKey is RPXHTYUSHZTTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O4/c1-5-32-21(30)12-17-13-25(14-17,19-9-7-6-8-18(19)15(2)3)23(31)29-20-11-10-16(4)28-22(20)33-24(26)27/h6-11,15,17,24H,5,12-14H2,1-4H3,(H,29,31).

What are the key properties of ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate?

ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate has a molecular weight of 460.52 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate is sourced from PubChem (CID 167456389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).