3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide

C13H22N4O3 — CID 71413889

IUPAC3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide
SMILESN#CCCOCCN(CCOCCC#N)CCC(N)=O
InChIInChI=1S/C13H22N4O3/c14-4-1-9-19-11-7-17(6-3-13(16)18)8-12-20-10-2-5-15/h1-3,6-12H2,(H2,16,18)
InChIKeyFKZHEQZWYPITAU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.02
Rot. Bonds13

About 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide

3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide (PubChem CID 71413889) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide.

Molecular Properties

Compound Name3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide
PubChem CID71413889
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide
SMILESN#CCCOCCN(CCOCCC#N)CCC(N)=O
InChIInChI=1S/C13H22N4O3/c14-4-1-9-19-11-7-17(6-3-13(16)18)8-12-20-10-2-5-15/h1-3,6-12H2,(H2,16,18)
InChIKeyFKZHEQZWYPITAU-UHFFFAOYSA-N
XLogP0.02
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
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-[(3E)-3-amino-3-hydroxyiminopropoxy]ethyl-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethyl]amino]-N'-hydroxypropanimidamide;3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanenitrile
CID 172960201
3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-(2-cyanoethoxy)propyl]amino]propoxy]propanenitrile
CID 11320859
4-(cyanomethoxy)butanamide
CID 54310026
3-[2-acetyloxyethyl(2-cyanoethyl)amino]propanoic acid
CID 140529555
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
5-[4-cyanobutyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]pentanenitrile
CID 88853553
azane;2-cyanoethyl hydrogen carbonate
CID 174589632
10-cyanodecanamide
CID 87916786
3-[bis(3-aminopropyl)amino]propanamide
CID 88922422
2-cyanoethyl acetate;ethane
CID 145130643

Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide?
The IUPAC name of 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide (CID 71413889) is 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide.
What is the SMILES notation for 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide?
The canonical SMILES for 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide is N#CCCOCCN(CCOCCC#N)CCC(N)=O.
What is the InChIKey of 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide?
The InChIKey is FKZHEQZWYPITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-4-1-9-19-11-7-17(6-3-13(16)18)8-12-20-10-2-5-15/h1-3,6-12H2,(H2,16,18).
What are the key properties of 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide?
3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.02, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide is sourced from PubChem (CID 71413889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).