3-[3-oxobutyl(propyl)amino]-N-propylpropanamide

C13H26N2O2 — CID 118297775

IUPAC3-[3-oxobutyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCC)CCC(C)=O
InChIInChI=1S/C13H26N2O2/c1-4-8-14-13(17)7-11-15(9-5-2)10-6-12(3)16/h4-11H2,1-3H3,(H,14,17)
InChIKeyNMELYYFLQFDCAV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.59
Rot. Bonds10

About 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide

3-[3-oxobutyl(propyl)amino]-N-propylpropanamide (PubChem CID 118297775) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[3-oxobutyl(propyl)amino]-N-propylpropanamide
PubChem CID118297775
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[3-oxobutyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCC)CCC(C)=O
InChIInChI=1S/C13H26N2O2/c1-4-8-14-13(17)7-11-15(9-5-2)10-6-12(3)16/h4-11H2,1-3H3,(H,14,17)
InChIKeyNMELYYFLQFDCAV-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[propyl-[3-(propylamino)propyl]amino]butan-2-one
CID 118673927
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
CID 118657481
12-oxo-N-propyltridecanamide
CID 135223938
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-(dipropylamino)-N-methylpropanamide
CID 90814262
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide (CID 118297775) is 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide is CCCNC(=O)CCN(CCC)CCC(C)=O.
What is the InChIKey of 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide?
The InChIKey is NMELYYFLQFDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-14-13(17)7-11-15(9-5-2)10-6-12(3)16/h4-11H2,1-3H3,(H,14,17).
What are the key properties of 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide?
3-[3-oxobutyl(propyl)amino]-N-propylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxobutyl(propyl)amino]-N-propylpropanamide is sourced from PubChem (CID 118297775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).