N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide

C30H29N3O5 — CID 4088877

About N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide

N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide (PubChem CID 4088877) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

• Compound Name: N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
• PubChem CID: 4088877
• Molecular Formula: C30H29N3O5
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.21
• IUPAC Name: N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
• SMILES: CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1
• InChI: InChI=1S/C30H29N3O5/c1-3-36-25-15-13-24(14-16-25)32-29(34)30(35)33-31-19-21-12-17-27(28(18-21)37-4-2)38-20-23-10-7-9-22-8-5-6-11-26(22)23/h5-19H,3-4,20H2,1-2H3,(H,32,34)(H,33,35)
• InChIKey: OFZDSNSSNHJSJP-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 98.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?

The IUPAC name of N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide (CID 4088877) is N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide.

What is the SMILES notation for N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?

The canonical SMILES for N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1.

What is the InChIKey of N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?

The InChIKey is OFZDSNSSNHJSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-3-36-25-15-13-24(14-16-25)32-29(34)30(35)33-31-19-21-12-17-27(28(18-21)37-4-2)38-20-23-10-7-9-22-8-5-6-11-26(22)23/h5-19H,3-4,20H2,1-2H3,(H,32,34)(H,33,35).

What are the key properties of N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?

N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide has a molecular weight of 511.58 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 4088877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).