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

C27H48N2O — CID 54190785

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCN1CCCC1CNC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C27H48N2O/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/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)
InChIKeyPIIWWHVYWCZFRC-UHFFFAOYSA-N
MW416.69 g/mol
LogP6.81
Rot. Bonds14

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 54190785) has the molecular formula C27H48N2O and a molecular weight of 416.69 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
PubChem CID54190785
Molecular FormulaC27H48N2O
Molecular Weight416.69 g/mol
Exact Mass416.38
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCN1CCCC1CNC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C27H48N2O/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/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)
InChIKeyPIIWWHVYWCZFRC-UHFFFAOYSA-N
XLogP6.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 54190785) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is CCN1CCCC1CNC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The InChIKey is PIIWWHVYWCZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O/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/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 416.69 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 54190785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).