2-[2-(dimethylamino)ethoxy]-N-hexylacetamide

C12H26N2O2 — CID 170742428

IUPAC2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
SMILESCCCCCCNC(=O)COCCN(C)C
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-13-12(15)11-16-10-9-14(2)3/h4-11H2,1-3H3,(H,13,15)
InChIKeyPMGLHUHCCWXPSJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds10

About 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide

2-[2-(dimethylamino)ethoxy]-N-hexylacetamide (PubChem CID 170742428) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
PubChem CID170742428
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
SMILESCCCCCCNC(=O)COCCN(C)C
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-13-12(15)11-16-10-9-14(2)3/h4-11H2,1-3H3,(H,13,15)
InChIKeyPMGLHUHCCWXPSJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[ethyl(methyl)amino]ethoxy]-N-hexylacetamide
CID 170742438
2-[2-(dimethylamino)ethoxy]-N-ethylacetamide
CID 170742434
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-methoxy-N-nonylacetamide
CID 86922058
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide (CID 170742428) is 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide is CCCCCCNC(=O)COCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide?
The InChIKey is PMGLHUHCCWXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-6-7-8-13-12(15)11-16-10-9-14(2)3/h4-11H2,1-3H3,(H,13,15).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide?
2-[2-(dimethylamino)ethoxy]-N-hexylacetamide has a molecular weight of 230.35 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-hexylacetamide is sourced from PubChem (CID 170742428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).