3-(dibutylamino)oxy-N-oxaldehydoylpropanamide

C13H24N2O4 — CID 137428149

IUPAC3-(dibutylamino)oxy-N-oxaldehydoylpropanamide
SMILESCCCCN(CCCC)OCCC(=O)NC(=O)C=O
InChIInChI=1S/C13H24N2O4/c1-3-5-8-15(9-6-4-2)19-10-7-12(17)14-13(18)11-16/h11H,3-10H2,1-2H3,(H,14,17,18)
InChIKeyOGAHTNVCEFFUEP-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.05
Rot. Bonds11

About 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide

3-(dibutylamino)oxy-N-oxaldehydoylpropanamide (PubChem CID 137428149) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide.

Molecular Properties

Compound Name3-(dibutylamino)oxy-N-oxaldehydoylpropanamide
PubChem CID137428149
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-(dibutylamino)oxy-N-oxaldehydoylpropanamide
SMILESCCCCN(CCCC)OCCC(=O)NC(=O)C=O
InChIInChI=1S/C13H24N2O4/c1-3-5-8-15(9-6-4-2)19-10-7-12(17)14-13(18)11-16/h11H,3-10H2,1-2H3,(H,14,17,18)
InChIKeyOGAHTNVCEFFUEP-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dibutyl-methyl-[3-(oxaldehydoylamino)-3-oxopropyl]azanium bromide
CID 160567592
dibutyl-hexyl-[3-(oxaldehydoylamino)-3-oxopropyl]azanium
CID 123207221
N-decanoyldecanamide
CID 87914075
(dibutylamino) 2-(dodecanoylamino)acetate
CID 87640698
N-octanoyloctanamide;hydrobromide
CID 175059894
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
N-carbamoyloctanamide
CID 24740663
2-methoxy-3-tributylstannylprop-2-enal
CID 173254861
N-[3-(dimethylamino)propanoyl]octadecanamide
CID 88681823
N-butyl-5-hydroxy-3-methyl-N-[3-(oxaldehydoylamino)-3-oxopropyl]-5-oxopentan-1-amine oxide
CID 163443977
[3-(butylamino)-3-oxopropyl] formate
CID 57094792
N-butyl-N-ethoxypentan-1-amine
CID 174575432

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide?
The IUPAC name of 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide (CID 137428149) is 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide.
What is the SMILES notation for 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide?
The canonical SMILES for 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide is CCCCN(CCCC)OCCC(=O)NC(=O)C=O.
What is the InChIKey of 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide?
The InChIKey is OGAHTNVCEFFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-8-15(9-6-4-2)19-10-7-12(17)14-13(18)11-16/h11H,3-10H2,1-2H3,(H,14,17,18).
What are the key properties of 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide?
3-(dibutylamino)oxy-N-oxaldehydoylpropanamide has a molecular weight of 272.34 g/mol, XLogP of 1.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)oxy-N-oxaldehydoylpropanamide is sourced from PubChem (CID 137428149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).