3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

C30H29N3O6 — CID 3893797

About 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3893797) has the molecular formula C30H29N3O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 3893797
• Molecular Formula: C30H29N3O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.21
• IUPAC Name: 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• SMILES: COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC
• InChI: InChI=1S/C30H29N3O6/c1-36-25-14-12-22(16-28(25)38-3)30(35)31-18-29(34)33-32-17-20-11-13-26(27(15-20)37-2)39-19-23-9-6-8-21-7-4-5-10-24(21)23/h4-17H,18-19H2,1-3H3,(H,31,35)(H,33,34)
• InChIKey: NESHMEKEFFKWJS-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 107.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 3893797) is 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC.

What is the InChIKey of 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is NESHMEKEFFKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O6/c1-36-25-14-12-22(16-28(25)38-3)30(35)31-18-29(34)33-32-17-20-11-13-26(27(15-20)37-2)39-19-23-9-6-8-21-7-4-5-10-24(21)23/h4-17H,18-19H2,1-3H3,(H,31,35)(H,33,34).

What are the key properties of 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 527.58 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3893797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).