(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide

C30H36N2O4 — CID 68985432

About (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide

(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide (PubChem CID 68985432) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
• PubChem CID: 68985432
• Molecular Formula: C30H36N2O4
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.27
• IUPAC Name: (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
• SMILES: CC/C(=C(\C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(OCOC)cc1)c1ccc(C)cc1
• InChI: InChI=1S/C30H36N2O4/c1-6-28(23-9-7-22(2)8-10-23)29(24-11-15-27(16-12-24)36-21-34-5)30(33)31-25-13-17-26(18-14-25)35-20-19-32(3)4/h7-18H,6,19-21H2,1-5H3,(H,31,33)/b29-28+
• InChIKey: DAKACFDKNDMWJR-ZQHSETAFSA-N
• XLogP: 5.88
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide?

The IUPAC name of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide (CID 68985432) is (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide.

What is the SMILES notation for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide?

The canonical SMILES for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide is CC/C(=C(\C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(OCOC)cc1)c1ccc(C)cc1.

What is the InChIKey of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide?

The InChIKey is DAKACFDKNDMWJR-ZQHSETAFSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-6-28(23-9-7-22(2)8-10-23)29(24-11-15-27(16-12-24)36-21-34-5)30(33)31-25-13-17-26(18-14-25)35-20-19-32(3)4/h7-18H,6,19-21H2,1-5H3,(H,31,33)/b29-28+.

What are the key properties of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide?

(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide has a molecular weight of 488.63 g/mol, XLogP of 5.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 68985432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).