N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide

C34H56N2O2 — CID 5366118

IUPACN-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide
SMILESCC(=O)NC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(C)=O
InChIInChI=1S/C34H56N2O2/c1-25(2)15-11-17-27(5)19-13-21-29(7)23-33(35-31(9)37)34(36-32(10)38)24-30(8)22-14-20-28(6)18-12-16-26(3)4/h15-16,19-20,23-24,33-34H,11-14,17-18,21-22H2,1-10H3,(H,35,37)(H,36,38)/b27-19+,28-20+,29-23+,30-24+
InChIKeyBFSWZHSYEFUDNH-MTSVODCTSA-N
MW524.83 g/mol
LogP8.83
Rot. Bonds17

About N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide

N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide (PubChem CID 5366118) has the molecular formula C34H56N2O2 and a molecular weight of 524.83 g/mol. Its IUPAC name is N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide.

Molecular Properties

Compound NameN-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide
PubChem CID5366118
Molecular FormulaC34H56N2O2
Molecular Weight524.83 g/mol
Exact Mass524.43
IUPAC NameN-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide
SMILESCC(=O)NC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(C)=O
InChIInChI=1S/C34H56N2O2/c1-25(2)15-11-17-27(5)19-13-21-29(7)23-33(35-31(9)37)34(36-32(10)38)24-30(8)22-14-20-28(6)18-12-16-26(3)4/h15-16,19-20,23-24,33-34H,11-14,17-18,21-22H2,1-10H3,(H,35,37)(H,36,38)/b27-19+,28-20+,29-23+,30-24+
InChIKeyBFSWZHSYEFUDNH-MTSVODCTSA-N
XLogP8.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide with MolForge

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Related Compounds

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CID 60168614
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide
CID 91030593
n-Squalenyliodoacetamide
CID 129662289
(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 44756928
(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129826
(2E,6E,10E)-N-[2-(diethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129842
N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834753

Frequently Asked Questions

What is the IUPAC name of N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide?
The IUPAC name of N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide (CID 5366118) is N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide.
What is the SMILES notation for N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide?
The canonical SMILES for N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide is CC(=O)NC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(C)=O.
What is the InChIKey of N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide?
The InChIKey is BFSWZHSYEFUDNH-MTSVODCTSA-N. The full InChI is InChI=1S/C34H56N2O2/c1-25(2)15-11-17-27(5)19-13-21-29(7)23-33(35-31(9)37)34(36-32(10)38)24-30(8)22-14-20-28(6)18-12-16-26(3)4/h15-16,19-20,23-24,33-34H,11-14,17-18,21-22H2,1-10H3,(H,35,37)(H,36,38)/b27-19+,28-20+,29-23+,30-24+.
What are the key properties of N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide?
N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide has a molecular weight of 524.83 g/mol, XLogP of 8.83, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6E,10E,14E,18E)-13-acetamido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]acetamide is sourced from PubChem (CID 5366118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).