N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide

C30H29N3O6 — CID 140888137

About N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide

N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide (PubChem CID 140888137) has the molecular formula C30H29N3O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide
• PubChem CID: 140888137
• Molecular Formula: C30H29N3O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.21
• IUPAC Name: N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide
• SMILES: COc1ccc2c(c1)C(C(C(=O)NCc1ccco1)n1ccnc1)=C(C)C2=Cc1cc(OC)c(O)c(OC)c1
• InChI: InChI=1S/C30H29N3O6/c1-18-23(12-19-13-25(37-3)29(34)26(14-19)38-4)22-8-7-20(36-2)15-24(22)27(18)28(33-10-9-31-17-33)30(35)32-16-21-6-5-11-39-21/h5-15,17,28,34H,16H2,1-4H3,(H,32,35)
• InChIKey: UODNYGPKMULESY-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 107.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide (CID 140888137) is N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide is COc1ccc2c(c1)C(C(C(=O)NCc1ccco1)n1ccnc1)=C(C)C2=Cc1cc(OC)c(O)c(OC)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide?

The InChIKey is UODNYGPKMULESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O6/c1-18-23(12-19-13-25(37-3)29(34)26(14-19)38-4)22-8-7-20(36-2)15-24(22)27(18)28(33-10-9-31-17-33)30(35)32-16-21-6-5-11-39-21/h5-15,17,28,34H,16H2,1-4H3,(H,32,35).

What are the key properties of N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide?

N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide has a molecular weight of 527.58 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 140888137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).