(Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C32H40N2O5 — CID 67875737

About (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide

(Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 67875737) has the molecular formula C32H40N2O5 and a molecular weight of 532.68 g/mol. Its IUPAC name is (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
• PubChem CID: 67875737
• Molecular Formula: C32H40N2O5
• Molecular Weight: 532.68 g/mol
• Exact Mass: 532.29
• IUPAC Name: (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
• SMILES: CCOc1ccc(/C(=C\C(=O)N(CCc2ccc(OC)c(OC)c2)CCN(C)C)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C32H40N2O5/c1-7-39-28-15-11-26(12-16-28)29(25-9-13-27(36-4)14-10-25)23-32(35)34(21-20-33(2)3)19-18-24-8-17-30(37-5)31(22-24)38-6/h8-17,22-23H,7,18-21H2,1-6H3/b29-23-
• InChIKey: LYRPHQMYXOSGML-FAJYDZGRSA-N
• XLogP: 5.18
• TPSA: 60.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.68
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
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 (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?

The IUPAC name of (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 67875737) is (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

What is the SMILES notation for (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?

The canonical SMILES for (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is CCOc1ccc(/C(=C\C(=O)N(CCc2ccc(OC)c(OC)c2)CCN(C)C)c2ccc(OC)cc2)cc1.

What is the InChIKey of (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?

The InChIKey is LYRPHQMYXOSGML-FAJYDZGRSA-N. The full InChI is InChI=1S/C32H40N2O5/c1-7-39-28-15-11-26(12-16-28)29(25-9-13-27(36-4)14-10-25)23-32(35)34(21-20-33(2)3)19-18-24-8-17-30(37-5)31(22-24)38-6/h8-17,22-23H,7,18-21H2,1-6H3/b29-23-.

What are the key properties of (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?

(Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 532.68 g/mol, XLogP of 5.18, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 67875737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).