3-hexoxy-N,N,2-trimethylpropanamide

C12H25NO2 — CID 89427319

IUPAC3-hexoxy-N,N,2-trimethylpropanamide
SMILESCCCCCCOCC(C)C(=O)N(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-15-10-11(2)12(14)13(3)4/h11H,5-10H2,1-4H3
InChIKeyPDCLWKKVHRJLEK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds8

About 3-hexoxy-N,N,2-trimethylpropanamide

3-hexoxy-N,N,2-trimethylpropanamide (PubChem CID 89427319) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-hexoxy-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name3-hexoxy-N,N,2-trimethylpropanamide
PubChem CID89427319
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-hexoxy-N,N,2-trimethylpropanamide
SMILESCCCCCCOCC(C)C(=O)N(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-15-10-11(2)12(14)13(3)4/h11H,5-10H2,1-4H3
InChIKeyPDCLWKKVHRJLEK-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-hexoxy-2-methylpropanamide
CID 89427289
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
3-hexoxy-N'-hydroxy-2-methylpropanimidamide
CID 43368824
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N,N,2-trimethylpropanamide?
The IUPAC name of 3-hexoxy-N,N,2-trimethylpropanamide (CID 89427319) is 3-hexoxy-N,N,2-trimethylpropanamide.
What is the SMILES notation for 3-hexoxy-N,N,2-trimethylpropanamide?
The canonical SMILES for 3-hexoxy-N,N,2-trimethylpropanamide is CCCCCCOCC(C)C(=O)N(C)C.
What is the InChIKey of 3-hexoxy-N,N,2-trimethylpropanamide?
The InChIKey is PDCLWKKVHRJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-7-8-9-15-10-11(2)12(14)13(3)4/h11H,5-10H2,1-4H3.
What are the key properties of 3-hexoxy-N,N,2-trimethylpropanamide?
3-hexoxy-N,N,2-trimethylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N,N,2-trimethylpropanamide is sourced from PubChem (CID 89427319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).