(2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C27H46N2O — CID 14129838

About (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 14129838) has the molecular formula C27H46N2O and a molecular weight of 414.68 g/mol. Its IUPAC name is (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

• Compound Name: (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
• PubChem CID: 14129838
• Molecular Formula: C27H46N2O
• Molecular Weight: 414.68 g/mol
• Exact Mass: 414.36
• IUPAC Name: (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
• SMILES: CCN1CCCC1CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C27H46N2O/c1-7-29-19-11-18-26(29)21-28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,20,26H,7-11,13,15,17-19,21H2,1-6H3,(H,28,30)/b23-14+,24-16+,25-20+
• InChIKey: ZDMDBWURNJXKSD-GHDNBGIDSA-N
• XLogP: 6.73
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.68
LogP ≤ 5	6.73
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)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?

The IUPAC name of (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 14129838) is (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

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

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

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

The InChIKey is ZDMDBWURNJXKSD-GHDNBGIDSA-N. The full InChI is InChI=1S/C27H46N2O/c1-7-29-19-11-18-26(29)21-28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,20,26H,7-11,13,15,17-19,21H2,1-6H3,(H,28,30)/b23-14+,24-16+,25-20+.

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

(2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 414.68 g/mol, XLogP of 6.73, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 14129838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).