N-(propylcarbamoyl)butanamide

C8H16N2O2 — CID 12936931

IUPACN-(propylcarbamoyl)butanamide
SMILESCCCNC(=O)NC(=O)CCC
InChIInChI=1S/C8H16N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-6H2,1-2H3,(H2,9,10,11,12)
InChIKeyZLUMKDIQYOFNHL-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.02
Rot. Bonds4

About N-(propylcarbamoyl)butanamide

N-(propylcarbamoyl)butanamide (PubChem CID 12936931) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(propylcarbamoyl)butanamide.

Molecular Properties

Compound NameN-(propylcarbamoyl)butanamide
PubChem CID12936931
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(propylcarbamoyl)butanamide
SMILESCCCNC(=O)NC(=O)CCC
InChIInChI=1S/C8H16N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-6H2,1-2H3,(H2,9,10,11,12)
InChIKeyZLUMKDIQYOFNHL-UHFFFAOYSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
N-(methylcarbamoyl)butanamide
CID 12936929
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
2-(azepan-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8895762
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
CID 66116132
1-O-methyl 4-O-[2-oxo-2-(propylcarbamoylamino)ethyl] but-2-enedioate
CID 72529788
[2-oxo-2-(propylcarbamoylamino)ethyl] N'-aminocarbamimidothioate
CID 77059910
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583

Frequently Asked Questions

What is the IUPAC name of N-(propylcarbamoyl)butanamide?
The IUPAC name of N-(propylcarbamoyl)butanamide (CID 12936931) is N-(propylcarbamoyl)butanamide.
What is the SMILES notation for N-(propylcarbamoyl)butanamide?
The canonical SMILES for N-(propylcarbamoyl)butanamide is CCCNC(=O)NC(=O)CCC.
What is the InChIKey of N-(propylcarbamoyl)butanamide?
The InChIKey is ZLUMKDIQYOFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-6H2,1-2H3,(H2,9,10,11,12).
What are the key properties of N-(propylcarbamoyl)butanamide?
N-(propylcarbamoyl)butanamide has a molecular weight of 172.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylcarbamoyl)butanamide is sourced from PubChem (CID 12936931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).