15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide

C44H64N2O2 — CID 131986635

IUPAC15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide
SMILESCC=CC=CC=CC=CC=CC=CC(=CC=CC=CC=CC=CC=CCC(CCCCCCCCCCCCCCC)C(N)=O)C(N)=O
InChIInChI=1S/C44H64N2O2/c1-3-5-7-9-11-13-15-16-18-22-26-30-34-38-42(44(46)48)40-36-32-28-24-20-19-23-27-31-35-39-41(43(45)47)37-33-29-25-21-17-14-12-10-8-6-4-2/h4,6,8,10,12,14,17,19-21,23-25,27-29,31-33,35-37,39,42H,3,5,7,9,11,13,15-16,18,22,26,30,34,38,40H2,1-2H3,(H2,45,47)(H2,46,48)
InChIKeySHCYAZRFVOWOCN-UHFFFAOYSA-N
MW653.01 g/mol
LogP11.51
Rot. Bonds29

About 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide

15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide (PubChem CID 131986635) has the molecular formula C44H64N2O2 and a molecular weight of 653.01 g/mol. Its IUPAC name is 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide.

Molecular Properties

Compound Name15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide
PubChem CID131986635
Molecular FormulaC44H64N2O2
Molecular Weight653.01 g/mol
Exact Mass652.50
IUPAC Name15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide
SMILESCC=CC=CC=CC=CC=CC=CC(=CC=CC=CC=CC=CC=CCC(CCCCCCCCCCCCCCC)C(N)=O)C(N)=O
InChIInChI=1S/C44H64N2O2/c1-3-5-7-9-11-13-15-16-18-22-26-30-34-38-42(44(46)48)40-36-32-28-24-20-19-23-27-31-35-39-41(43(45)47)37-33-29-25-21-17-14-12-10-8-6-4-2/h4,6,8,10,12,14,17,19-21,23-25,27-29,31-33,35-37,39,42H,3,5,7,9,11,13,15-16,18,22,26,30,34,38,40H2,1-2H3,(H2,45,47)(H2,46,48)
InChIKeySHCYAZRFVOWOCN-UHFFFAOYSA-N
XLogP11.51
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.01
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide 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

2-(3-aminoprop-2-enyl)dodecanamide
CID 173351478
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-hexadecylicos-11-enamide
CID 173011844
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467

Frequently Asked Questions

What is the IUPAC name of 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide?
The IUPAC name of 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide (CID 131986635) is 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide.
What is the SMILES notation for 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide?
The canonical SMILES for 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide is CC=CC=CC=CC=CC=CC=CC(=CC=CC=CC=CC=CC=CCC(CCCCCCCCCCCCCCC)C(N)=O)C(N)=O.
What is the InChIKey of 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide?
The InChIKey is SHCYAZRFVOWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H64N2O2/c1-3-5-7-9-11-13-15-16-18-22-26-30-34-38-42(44(46)48)40-36-32-28-24-20-19-23-27-31-35-39-41(43(45)47)37-33-29-25-21-17-14-12-10-8-6-4-2/h4,6,8,10,12,14,17,19-21,23-25,27-29,31-33,35-37,39,42H,3,5,7,9,11,13,15-16,18,22,26,30,34,38,40H2,1-2H3,(H2,45,47)(H2,46,48).
What are the key properties of 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide?
15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide has a molecular weight of 653.01 g/mol, XLogP of 11.51, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide is sourced from PubChem (CID 131986635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).