7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C25H32F3N3O7 — CID 175537413

About 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 175537413) has the molecular formula C25H32F3N3O7 and a molecular weight of 543.54 g/mol. Its IUPAC name is 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 175537413
• Molecular Formula: C25H32F3N3O7
• Molecular Weight: 543.54 g/mol
• Exact Mass: 543.22
• IUPAC Name: 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2c1OC(C(=O)NC(CC(C)C)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)C2
• InChI: InChI=1S/C25H32F3N3O7/c1-13(2)9-17(31-24(35)20-11-14-5-4-6-19(36-3)21(14)38-20)23(34)30-16(10-15-7-8-29-22(15)33)18(32)12-37-25(26,27)28/h4-6,13,15-17,20H,7-12H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t15-,16?,17?,20?/m0/s1
• InChIKey: OMXFFZRCJZDPTC-AKJOHPPZSA-N
• XLogP: 1.65
• TPSA: 132.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.54
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 175537413) is 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1cccc2c1OC(C(=O)NC(CC(C)C)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)C2.

What is the InChIKey of 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is OMXFFZRCJZDPTC-AKJOHPPZSA-N. The full InChI is InChI=1S/C25H32F3N3O7/c1-13(2)9-17(31-24(35)20-11-14-5-4-6-19(36-3)21(14)38-20)23(34)30-16(10-15-7-8-29-22(15)33)18(32)12-37-25(26,27)28/h4-6,13,15-17,20H,7-12H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t15-,16?,17?,20?/m0/s1.

What are the key properties of 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 543.54 g/mol, XLogP of 1.65, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175537413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).