N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide

C32H52INO — CID 91030593

IUPACN-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CNC(=O)CI
InChIInChI=1S/C32H52INO/c1-26(2)14-10-17-29(5)20-11-18-27(3)15-8-9-16-28(4)19-12-21-30(6)22-13-23-31(7)25-34-32(35)24-33/h14-16,20-21,23H,8-13,17-19,22,24-25H2,1-7H3,(H,34,35)
InChIKeyARUUNVZTINHOGH-UHFFFAOYSA-N
MW593.68 g/mol
LogP10.14
Rot. Bonds18

About N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide

N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide (PubChem CID 91030593) has the molecular formula C32H52INO and a molecular weight of 593.68 g/mol. Its IUPAC name is N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide
PubChem CID91030593
Molecular FormulaC32H52INO
Molecular Weight593.68 g/mol
Exact Mass593.31
IUPAC NameN-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CNC(=O)CI
InChIInChI=1S/C32H52INO/c1-26(2)14-10-17-29(5)20-11-18-27(3)15-8-9-16-28(4)19-12-21-30(6)22-13-23-31(7)25-34-32(35)24-33/h14-16,20-21,23H,8-13,17-19,22,24-25H2,1-7H3,(H,34,35)
InChIKeyARUUNVZTINHOGH-UHFFFAOYSA-N
XLogP10.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.68
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide with MolForge

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Related Compounds

n-Squalenyliodoacetamide
CID 129662289
N-[2-Acetylamino-4,8,12-trimethyl-1-(2,6,10-trimethyl-undeca-1,5,9-trienyl)-trideca-3,7,11-trienyl]-acetamide
CID 5366118
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide
CID 10015635
N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 10656024
N-[(2Z,6Z)-2-methylnona-2,6-dienyl]acetamide
CID 11499374
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 11637078
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
CID 11658630
N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834753
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide
CID 15069742
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide
CID 15069743
N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide
CID 15069747

Frequently Asked Questions

What is the IUPAC name of N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide?
The IUPAC name of N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide (CID 91030593) is N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide.
What is the SMILES notation for N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide?
The canonical SMILES for N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide is CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CNC(=O)CI.
What is the InChIKey of N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide?
The InChIKey is ARUUNVZTINHOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52INO/c1-26(2)14-10-17-29(5)20-11-18-27(3)15-8-9-16-28(4)19-12-21-30(6)22-13-23-31(7)25-34-32(35)24-33/h14-16,20-21,23H,8-13,17-19,22,24-25H2,1-7H3,(H,34,35).
What are the key properties of N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide?
N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide has a molecular weight of 593.68 g/mol, XLogP of 10.14, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide is sourced from PubChem (CID 91030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).