N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C29H30N4O4 — CID 10577268

About N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 10577268) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• PubChem CID: 10577268
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• SMILES: Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1
• InChI: InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34)
• InChIKey: UPTIAAUBTFAGBK-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 10577268) is N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

What is the SMILES notation for N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The canonical SMILES for N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1.

What is the InChIKey of N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The InChIKey is UPTIAAUBTFAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34).

What are the key properties of N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 498.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 10577268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).