N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

C23H41NO2 — CID 54413716

IUPACN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)NCCCO
InChIInChI=1S/C23H41NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,22,25H,6-9,11,13,15-18H2,1-5H3,(H,24,26)
InChIKeyVVXLUKGVURBQED-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.71
Rot. Bonds14

About N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 54413716) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
PubChem CID54413716
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC NameN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)NCCCO
InChIInChI=1S/C23H41NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,22,25H,6-9,11,13,15-18H2,1-5H3,(H,24,26)
InChIKeyVVXLUKGVURBQED-UHFFFAOYSA-N
XLogP5.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.71
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The IUPAC name of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 54413716) is N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The InChIKey is VVXLUKGVURBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,22,25H,6-9,11,13,15-18H2,1-5H3,(H,24,26).
What are the key properties of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 363.59 g/mol, XLogP of 5.71, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 54413716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).