4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one

C12H25NO4 — CID 137458388

IUPAC4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCCNCCOCCOCCOCCC(C)=O
InChIInChI=1S/C12H25NO4/c1-3-13-5-7-16-9-11-17-10-8-15-6-4-12(2)14/h13H,3-11H2,1-2H3
InChIKeyFXQGIKAETGMJCM-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.62
Rot. Bonds13

About 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one

4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one (PubChem CID 137458388) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
PubChem CID137458388
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCCNCCOCCOCCOCCC(C)=O
InChIInChI=1S/C12H25NO4/c1-3-13-5-7-16-9-11-17-10-8-15-6-4-12(2)14/h13H,3-11H2,1-2H3
InChIKeyFXQGIKAETGMJCM-UHFFFAOYSA-N
XLogP0.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
CID 142364697
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-N-(2-methoxyethoxymethyl)propanamide
CID 177055745
N-[2-[2-[2-(ethylamino)ethylamino]ethoxy]ethyl]acetamide
CID 155740927
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one (CID 137458388) is 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one is CCNCCOCCOCCOCCC(C)=O.
What is the InChIKey of 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one?
The InChIKey is FXQGIKAETGMJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-3-13-5-7-16-9-11-17-10-8-15-6-4-12(2)14/h13H,3-11H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one?
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one has a molecular weight of 247.33 g/mol, XLogP of 0.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 137458388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).