N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide

C23H35NO2 — CID 172859631

IUPACN-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
SMILESCCCCC=CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C23H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(2,3)26/h7-14,17-20,26H,4-6,15-16,21H2,1-3H3,(H,24,25)
InChIKeyZEEWFKJPPGCSOJ-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.18
Rot. Bonds13

About N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide

N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide (PubChem CID 172859631) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
PubChem CID172859631
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC NameN-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
SMILESCCCCC=CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C23H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(2,3)26/h7-14,17-20,26H,4-6,15-16,21H2,1-3H3,(H,24,25)
InChIKeyZEEWFKJPPGCSOJ-UHFFFAOYSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.18
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-ethyl-2-hydroxypentyl)heptadeca-2,4,6,10,12-pentaenamide
CID 150184396
N-(2-butyl-2-hydroxyoctyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 150873593
N-(2-hydroxy-2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
CID 162920321
N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide
CID 151144325
N-(2-hydroxy-2-methylhexyl)octadeca-2,6,8,10,12-pentaenamide
CID 152556040
N-(2-hydroxy-2-propylhexyl)heptadeca-2,6,8,10,12-pentaenamide
CID 150342686
N-(2-hydroxy-2-methylbutyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150590728
N-(2-butyl-2-hydroxyoctyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150083010
N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
CID 151325633
(2E,4Z)-N-tert-butyldeca-2,4-dienamide
CID 87311123
(2E,4E,9E,11E)-8-hydroxy-N-(2-hydroxy-2-methylpropyl)-13-oxotetradeca-2,4,9,11-tetraenamide
CID 132575015
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide (CID 172859631) is N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide is CCCCC=CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide?
The InChIKey is ZEEWFKJPPGCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(2,3)26/h7-14,17-20,26H,4-6,15-16,21H2,1-3H3,(H,24,25).
What are the key properties of N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide?
N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide has a molecular weight of 357.54 g/mol, XLogP of 5.18, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide is sourced from PubChem (CID 172859631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).