(2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

C32H54N2O — CID 21298047

About (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

(2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (PubChem CID 21298047) has the molecular formula C32H54N2O and a molecular weight of 482.80 g/mol. Its IUPAC name is (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.

Molecular Properties

• Compound Name: (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
• PubChem CID: 21298047
• Molecular Formula: C32H54N2O
• Molecular Weight: 482.80 g/mol
• Exact Mass: 482.42
• IUPAC Name: (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
• SMILES: CCN1CCCC1CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C32H54N2O/c1-8-34-23-13-22-31(34)25-33-32(35)24-30(7)21-12-20-29(6)19-11-18-28(5)17-10-16-27(4)15-9-14-26(2)3/h14,16,18,20,24,31H,8-13,15,17,19,21-23,25H2,1-7H3,(H,33,35)/b27-16+,28-18+,29-20+,30-24+
• InChIKey: LARLJABHIIJEOQ-HAJWAVTHSA-N
• XLogP: 8.46
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.80
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?

The IUPAC name of (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (CID 21298047) is (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.

What is the SMILES notation for (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?

The canonical SMILES for (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is CCN1CCCC1CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?

The InChIKey is LARLJABHIIJEOQ-HAJWAVTHSA-N. The full InChI is InChI=1S/C32H54N2O/c1-8-34-23-13-22-31(34)25-33-32(35)24-30(7)21-12-20-29(6)19-11-18-28(5)17-10-16-27(4)15-9-14-26(2)3/h14,16,18,20,24,31H,8-13,15,17,19,21-23,25H2,1-7H3,(H,33,35)/b27-16+,28-18+,29-20+,30-24+.

What are the key properties of (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?

(2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide has a molecular weight of 482.80 g/mol, XLogP of 8.46, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is sourced from PubChem (CID 21298047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).