N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C32H32N2O4 — CID 126377691

About N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126377691) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
• PubChem CID: 126377691
• Molecular Formula: C32H32N2O4
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.24
• IUPAC Name: N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
• SMILES: C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(C)cc1
• InChI: InChI=1S/C32H32N2O4/c1-5-9-27-16-24(17-30(37-6-2)31(27)38-21-23-14-12-22(3)13-15-23)20-33-34-32(35)28-18-25-10-7-8-11-26(25)19-29(28)36-4/h5,7-8,10-20H,1,6,9,21H2,2-4H3,(H,34,35)/b33-20-
• InChIKey: LBIBDEXGBZPCSA-UCMJSZAQSA-N
• XLogP: 6.63
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?

The IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 126377691) is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

What is the SMILES notation for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?

The canonical SMILES for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(C)cc1.

What is the InChIKey of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?

The InChIKey is LBIBDEXGBZPCSA-UCMJSZAQSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-5-9-27-16-24(17-30(37-6-2)31(27)38-21-23-14-12-22(3)13-15-23)20-33-34-32(35)28-18-25-10-7-8-11-26(25)19-29(28)36-4/h5,7-8,10-20H,1,6,9,21H2,2-4H3,(H,34,35)/b33-20-.

What are the key properties of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?

N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126377691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).