5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide

C22H37NO — CID 173416553

IUPAC5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(N)=O
InChIInChI=1S/C22H37NO/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-22(23)24/h10,12,14,16H,6-9,11,13,15,17H2,1-5H3,(H2,23,24)
InChIKeyYURAVFNZSUDMQI-UHFFFAOYSA-N
MW331.54 g/mol
LogP6.40
Rot. Bonds12

About 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide

5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide (PubChem CID 173416553) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide.

Molecular Properties

Compound Name5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
PubChem CID173416553
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(N)=O
InChIInChI=1S/C22H37NO/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-22(23)24/h10,12,14,16H,6-9,11,13,15,17H2,1-5H3,(H2,23,24)
InChIKeyYURAVFNZSUDMQI-UHFFFAOYSA-N
XLogP6.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide
CID 91500196
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide?
The IUPAC name of 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide (CID 173416553) is 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide.
What is the SMILES notation for 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide?
The canonical SMILES for 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(N)=O.
What is the InChIKey of 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide?
The InChIKey is YURAVFNZSUDMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-22(23)24/h10,12,14,16H,6-9,11,13,15,17H2,1-5H3,(H2,23,24).
What are the key properties of 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide?
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide has a molecular weight of 331.54 g/mol, XLogP of 6.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide is sourced from PubChem (CID 173416553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).