N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide

C13H23NO2 — CID 103899902

IUPACN-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H23NO2/c1-4-5-6-8-12(16)14-11-13(2,3)9-7-10-15/h4-6,8,15H,7,9-11H2,1-3H3,(H,14,16)
InChIKeySDRSOQFCKUDABW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.03
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide

N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide (PubChem CID 103899902) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide
PubChem CID103899902
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H23NO2/c1-4-5-6-8-12(16)14-11-13(2,3)9-7-10-15/h4-6,8,15H,7,9-11H2,1-3H3,(H,14,16)
InChIKeySDRSOQFCKUDABW-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-hydroxypentyl)but-2-enamide
CID 13877305
(Z)-N-(5-hydroxypentyl)but-2-enamide
CID 140174163
(Z)-N-(5-aminopentyl)-N-(5-hydroxypentyl)but-2-enamide
CID 140174284
N-(1-hydroxy-4-methylpentan-2-yl)hexa-2,4-dienamide
CID 61246179
N-(4-hydroxy-2-methylbutyl)hexa-2,4-dienamide
CID 77112853
N-(2-ethyl-4-hydroxybutyl)hexa-2,4-dienamide
CID 80308852
(4E)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexa-2,4-dienamide
CID 80717226
(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide
CID 102025548
N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide
CID 103279925
N-(2-hydroxy-4-methylpentyl)hexa-2,4-dienamide
CID 103771412
N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide
CID 103771961
N-(1-hydroxy-4-methylpentan-3-yl)hexa-2,4-dienamide
CID 103782330

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide (CID 103899902) is N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide?
The InChIKey is SDRSOQFCKUDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-6-8-12(16)14-11-13(2,3)9-7-10-15/h4-6,8,15H,7,9-11H2,1-3H3,(H,14,16).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide?
N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide has a molecular weight of 225.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)hexa-2,4-dienamide is sourced from PubChem (CID 103899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).