N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide

C13H23NO3 — CID 162816227

IUPACN-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCCC=C(C)C(=O)C(C)C(=O)NCCO
InChIInChI=1S/C13H23NO3/c1-4-5-6-7-10(2)12(16)11(3)13(17)14-8-9-15/h7,11,15H,4-6,8-9H2,1-3H3,(H,14,17)
InChIKeyQCSJTWOCRWORFI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds8

About N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide

N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide (PubChem CID 162816227) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
PubChem CID162816227
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCCC=C(C)C(=O)C(C)C(=O)NCCO
InChIInChI=1S/C13H23NO3/c1-4-5-6-7-10(2)12(16)11(3)13(17)14-8-9-15/h7,11,15H,4-6,8-9H2,1-3H3,(H,14,17)
InChIKeyQCSJTWOCRWORFI-UHFFFAOYSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetamide
CID 44562698
Asenjonamide A
CID 139589507
(E)-N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
CID 169492729
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866922
N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
CID 87962232
N-(2-hydroxyethyl)-4-methyl-2-(2-methylbutan-2-yl)pent-3-enamide
CID 89249585
(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 91346857
(Z)-N-(2-hydroxyethyl)-7-[(5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 118030758
(E)-N-(2-hydroxyethyl)-7-[(5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 137547723
(E)-N-(2-hydroxyethyl)-7-[5-[(E)-oct-2-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 137547888
N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide
CID 175163441

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide (CID 162816227) is N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide is CCCCC=C(C)C(=O)C(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide?
The InChIKey is QCSJTWOCRWORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-5-6-7-10(2)12(16)11(3)13(17)14-8-9-15/h7,11,15H,4-6,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide?
N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide has a molecular weight of 241.33 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide is sourced from PubChem (CID 162816227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).