(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide

C35H60N2O — CID 170133551

IUPAC(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
SMILESCNCCNC(=O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C35H60N2O/c1-29(2)15-11-18-32(5)21-12-19-30(3)16-9-10-17-31(4)20-13-22-33(6)23-14-24-34(7)25-26-35(38)37-28-27-36-8/h15-17,21-22,24,36H,9-14,18-20,23,25-28H2,1-8H3,(H,37,38)/b30-16+,31-17+,32-21+,33-22+,34-24+
InChIKeyBGEFZCKCKRDXPP-HBEYJBAPSA-N
MW524.88 g/mol
LogP9.70
Rot. Bonds21

About (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide

(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide (PubChem CID 170133551) has the molecular formula C35H60N2O and a molecular weight of 524.88 g/mol. Its IUPAC name is (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide.

Molecular Properties

Compound Name(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
PubChem CID170133551
Molecular FormulaC35H60N2O
Molecular Weight524.88 g/mol
Exact Mass524.47
IUPAC Name(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
SMILESCNCCNC(=O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C35H60N2O/c1-29(2)15-11-18-32(5)21-12-19-30(3)16-9-10-17-31(4)20-13-22-33(6)23-14-24-34(7)25-26-35(38)37-28-27-36-8/h15-17,21-22,24,36H,9-14,18-20,23,25-28H2,1-8H3,(H,37,38)/b30-16+,31-17+,32-21+,33-22+,34-24+
InChIKeyBGEFZCKCKRDXPP-HBEYJBAPSA-N
XLogP9.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
CID 145283944
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
2-bromo-N-[(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaenyl]acetamide
CID 53468174
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
2-[3-(5,9-dimethyldeca-4,8-dienoylamino)propyl-dimethylazaniumyl]acetate
CID 139608124
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102

Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide?
The IUPAC name of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide (CID 170133551) is (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide.
What is the SMILES notation for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide?
The canonical SMILES for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide is CNCCNC(=O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide?
The InChIKey is BGEFZCKCKRDXPP-HBEYJBAPSA-N. The full InChI is InChI=1S/C35H60N2O/c1-29(2)15-11-18-32(5)21-12-19-30(3)16-9-10-17-31(4)20-13-22-33(6)23-14-24-34(7)25-26-35(38)37-28-27-36-8/h15-17,21-22,24,36H,9-14,18-20,23,25-28H2,1-8H3,(H,37,38)/b30-16+,31-17+,32-21+,33-22+,34-24+.
What are the key properties of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide?
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide has a molecular weight of 524.88 g/mol, XLogP of 9.70, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide is sourced from PubChem (CID 170133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).