3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

C23H27F2N3O4 — CID 175840291

About 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 175840291) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
• PubChem CID: 175840291
• Molecular Formula: C23H27F2N3O4
• Molecular Weight: 447.48 g/mol
• Exact Mass: 447.20
• IUPAC Name: 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
• SMILES: COc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(CC(N)=O)C2)c(OC(F)F)n1
• InChI: InChI=1S/C23H27F2N3O4/c1-13(2)15-6-4-5-7-16(15)23(11-14(12-23)10-18(26)29)21(30)27-17-8-9-19(31-3)28-20(17)32-22(24)25/h4-9,13-14,22H,10-12H2,1-3H3,(H2,26,29)(H,27,30)
• InChIKey: JXWPBPYCTOAECL-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.48
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?

The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (CID 175840291) is 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.

What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?

The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(CC(N)=O)C2)c(OC(F)F)n1.

What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?

The InChIKey is JXWPBPYCTOAECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-13(2)15-6-4-5-7-16(15)23(11-14(12-23)10-18(26)29)21(30)27-17-8-9-19(31-3)28-20(17)32-22(24)25/h4-9,13-14,22H,10-12H2,1-3H3,(H2,26,29)(H,27,30).

What are the key properties of 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?

3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 175840291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).