N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

C35H30N2O5 — CID 12864632

About N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 12864632) has the molecular formula C35H30N2O5 and a molecular weight of 558.63 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
• PubChem CID: 12864632
• Molecular Formula: C35H30N2O5
• Molecular Weight: 558.63 g/mol
• Exact Mass: 558.22
• IUPAC Name: N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
• SMILES: COc1cc2oc(-c3ccccc3)c(-c3ccccc3)c2cc1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C35H30N2O5/c1-40-30-23-31-28(32(24-11-5-2-6-12-24)33(42-31)25-13-7-3-8-14-25)21-27(30)22-29(35(39)37-17-19-41-20-18-37)36-34(38)26-15-9-4-10-16-26/h2-16,21-23H,17-20H2,1H3,(H,36,38)/b29-22-
• InChIKey: ILGMKJKDJPBDEK-IADYIPOJSA-N
• XLogP: 6.41
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.63
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?

The IUPAC name of N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (CID 12864632) is N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.

What is the SMILES notation for N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?

The canonical SMILES for N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is COc1cc2oc(-c3ccccc3)c(-c3ccccc3)c2cc1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1.

What is the InChIKey of N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?

The InChIKey is ILGMKJKDJPBDEK-IADYIPOJSA-N. The full InChI is InChI=1S/C35H30N2O5/c1-40-30-23-31-28(32(24-11-5-2-6-12-24)33(42-31)25-13-7-3-8-14-25)21-27(30)22-29(35(39)37-17-19-41-20-18-37)36-34(38)26-15-9-4-10-16-26/h2-16,21-23H,17-20H2,1H3,(H,36,38)/b29-22-.

What are the key properties of N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?

N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 558.63 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 12864632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).