3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide

C16H32N2O6 — CID 71364213

IUPAC3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOCCOCCOCCOCCC(=O)N(C)C
InChIInChI=1S/C16H32N2O6/c1-17(2)15(19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-16(20)18(3)4/h5-14H2,1-4H3
InChIKeyZSSXKLXIVYELPY-UHFFFAOYSA-N
MW348.44 g/mol
LogP0.01
Rot. Bonds15

About 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide

3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide (PubChem CID 71364213) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
PubChem CID71364213
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Name3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOCCOCCOCCOCCC(=O)N(C)C
InChIInChI=1S/C16H32N2O6/c1-17(2)15(19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-16(20)18(3)4/h5-14H2,1-4H3
InChIKeyZSSXKLXIVYELPY-UHFFFAOYSA-N
XLogP0.01
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-methylpropoxy)-N,N-dimethylpropanamide
CID 64537384
N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
3-methoxy-N,N-dimethylpropanamide
CID 159478663
3-butoxy-N,N-dimethylpropanamide;3-methoxy-N,N-dimethylpropanamide
CID 141458250
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N,N-dimethylbutanamide;hydrochloride
CID 87498306
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
N,N-dimethylacetamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 175584179
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide (CID 71364213) is 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide is CN(C)C(=O)CCOCCOCCOCCOCCC(=O)N(C)C.
What is the InChIKey of 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide?
The InChIKey is ZSSXKLXIVYELPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6/c1-17(2)15(19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-16(20)18(3)4/h5-14H2,1-4H3.
What are the key properties of 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide?
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide has a molecular weight of 348.44 g/mol, XLogP of 0.01, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 71364213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).