N-(2-methoxyethyl)hex-4-enamide

C9H17NO2 — CID 90804500

IUPACN-(2-methoxyethyl)hex-4-enamide
SMILESCC=CCCC(=O)NCCOC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-9(11)10-7-8-12-2/h3-4H,5-8H2,1-2H3,(H,10,11)
InChIKeyAQVOEQBHGCCALF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About N-(2-methoxyethyl)hex-4-enamide

N-(2-methoxyethyl)hex-4-enamide (PubChem CID 90804500) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)hex-4-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)hex-4-enamide
PubChem CID90804500
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-methoxyethyl)hex-4-enamide
SMILESCC=CCCC(=O)NCCOC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-9(11)10-7-8-12-2/h3-4H,5-8H2,1-2H3,(H,10,11)
InChIKeyAQVOEQBHGCCALF-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
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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Related Compounds

Synaptamide
CID 5283451
Icosa-5,8,11,14-tetraenoic acid (2-methoxy-ethyl)-amide (0609)
CID 44313787
Docosahexaenoyl Ethanolamide
CID 49823680
Eicosapentaenoylethanolamide (EPEA)
CID 102139399
(4E,7Z,10Z,13Z,16Z,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 44373477
methyl 2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)acetate
CID 86696158
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 90071169
(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide
CID 53325344
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide
CID 155520923
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-hydroxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 155533250
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 22973437

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)hex-4-enamide?
The IUPAC name of N-(2-methoxyethyl)hex-4-enamide (CID 90804500) is N-(2-methoxyethyl)hex-4-enamide.
What is the SMILES notation for N-(2-methoxyethyl)hex-4-enamide?
The canonical SMILES for N-(2-methoxyethyl)hex-4-enamide is CC=CCCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)hex-4-enamide?
The InChIKey is AQVOEQBHGCCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-6-9(11)10-7-8-12-2/h3-4H,5-8H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)hex-4-enamide?
N-(2-methoxyethyl)hex-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)hex-4-enamide is sourced from PubChem (CID 90804500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).