N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide

C12H25NO4 — CID 144855445

IUPACN-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
SMILESCCCOCCOCCOCCC(=O)NCC
InChIInChI=1S/C12H25NO4/c1-3-6-15-8-10-17-11-9-16-7-5-12(14)13-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyNUIUAKPQHJNHFD-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.97
Rot. Bonds12

About N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide

N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide (PubChem CID 144855445) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
PubChem CID144855445
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC NameN-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
SMILESCCCOCCOCCOCCC(=O)NCC
InChIInChI=1S/C12H25NO4/c1-3-6-15-8-10-17-11-9-16-7-5-12(14)13-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyNUIUAKPQHJNHFD-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
3-ethoxy-N-ethylpropanamide
CID 58030283
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
N-ethyl-3-octadecoxypropanamide
CID 169179965
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide (CID 144855445) is N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide is CCCOCCOCCOCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The InChIKey is NUIUAKPQHJNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-3-6-15-8-10-17-11-9-16-7-5-12(14)13-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide has a molecular weight of 247.33 g/mol, XLogP of 0.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 144855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).