(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide

C32H33N3O4 — CID 6056204

About (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide

(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 6056204) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide
• PubChem CID: 6056204
• Molecular Formula: C32H33N3O4
• Molecular Weight: 523.63 g/mol
• Exact Mass: 523.25
• IUPAC Name: (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide
• SMILES: CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3
• InChI: InChI=1S/C32H33N3O4/c1-4-39-28-12-8-5-9-21(28)13-18-31(36)33-22-14-16-27-25(19-22)32(24-10-6-7-11-26(24)35-27)34-23-15-17-29(37-2)30(20-23)38-3/h5,8-9,12-20H,4,6-7,10-11H2,1-3H3,(H,33,36)(H,34,35)/b18-13+
• InChIKey: YONKRFRIMOQNQU-QGOAFFKASA-N
• XLogP: 6.93
• TPSA: 81.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.63
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide?

The IUPAC name of (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide (CID 6056204) is (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide.

What is the SMILES notation for (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide?

The canonical SMILES for (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3.

What is the InChIKey of (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide?

The InChIKey is YONKRFRIMOQNQU-QGOAFFKASA-N. The full InChI is InChI=1S/C32H33N3O4/c1-4-39-28-12-8-5-9-21(28)13-18-31(36)33-22-14-16-27-25(19-22)32(24-10-6-7-11-26(24)35-27)34-23-15-17-29(37-2)30(20-23)38-3/h5,8-9,12-20H,4,6-7,10-11H2,1-3H3,(H,33,36)(H,34,35)/b18-13+.

What are the key properties of (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide?

(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 523.63 g/mol, XLogP of 6.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6056204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).