N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide

C24H39NO2 — CID 151325633

IUPACN-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
SMILESCCCC=CC=CC=CC=CCCC=CC(=O)NCC(O)(CC)CCCC
InChIInChI=1S/C24H39NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-23(26)25-22-24(27,6-3)21-8-5-2/h9-16,19-20,27H,4-8,17-18,21-22H2,1-3H3,(H,25,26)
InChIKeyOHJGMLZLFPAKSS-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.80
Rot. Bonds15

About N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide

N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide (PubChem CID 151325633) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
PubChem CID151325633
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC NameN-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
SMILESCCCC=CC=CC=CC=CCCC=CC(=O)NCC(O)(CC)CCCC
InChIInChI=1S/C24H39NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-23(26)25-22-24(27,6-3)21-8-5-2/h9-16,19-20,27H,4-8,17-18,21-22H2,1-3H3,(H,25,26)
InChIKeyOHJGMLZLFPAKSS-UHFFFAOYSA-N
XLogP5.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.80
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'}

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Related Compounds

N-(2-hydroxy-2-propylhexyl)heptadeca-2,6,8,10,12-pentaenamide
CID 150342686
N-(2-ethyl-2-hydroxyheptyl)tetradeca-2,6,8,10,12-pentaenamide
CID 152517013
N-(2-ethyl-2-hydroxypentyl)heptadeca-2,4,6,10,12-pentaenamide
CID 150184396
N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide
CID 151144325
N-(2-butyl-2-hydroxyoctyl)tetradeca-2,6,8,10,12-pentaenamide
CID 152597506
N-(2-butyl-2-hydroxyoctyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 150873593
N-(2-butyl-2-hydroxyoctyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150083010
N-(2-hydroxy-2-methylhexyl)octadeca-2,6,8,10,12-pentaenamide
CID 152556040
N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 172859631
N-(2-hydroxy-2-methylbutyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150590728
N-propylhex-2-enamide
CID 88538823
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide?
The IUPAC name of N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide (CID 151325633) is N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide?
The canonical SMILES for N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide is CCCC=CC=CC=CC=CCCC=CC(=O)NCC(O)(CC)CCCC.
What is the InChIKey of N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide?
The InChIKey is OHJGMLZLFPAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-23(26)25-22-24(27,6-3)21-8-5-2/h9-16,19-20,27H,4-8,17-18,21-22H2,1-3H3,(H,25,26).
What are the key properties of N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide?
N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide has a molecular weight of 373.58 g/mol, XLogP of 5.80, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide is sourced from PubChem (CID 151325633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).