3-(propylamino)butanamide

C7H16N2O — CID 54855476

IUPAC3-(propylamino)butanamide
SMILESCCCNC(C)CC(N)=O
InChIInChI=1S/C7H16N2O/c1-3-4-9-6(2)5-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10)
InChIKeyNVMDMANHUPIDBI-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds5

About 3-(propylamino)butanamide

3-(propylamino)butanamide (PubChem CID 54855476) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(propylamino)butanamide.

Molecular Properties

Compound Name3-(propylamino)butanamide
PubChem CID54855476
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-(propylamino)butanamide
SMILESCCCNC(C)CC(N)=O
InChIInChI=1S/C7H16N2O/c1-3-4-9-6(2)5-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10)
InChIKeyNVMDMANHUPIDBI-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propoxyethylamino)butanamide
CID 106452583
3-(ethylamino)butanamide
CID 18792210
3-(2-ethylsulfanylethylamino)butanamide
CID 104668703
3-(2-sulfamoylethylamino)butanamide
CID 114385219
3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
3-(2-methylpropylamino)butanamide
CID 90751378
3-(3-cyanopropylamino)butanamide
CID 104537137
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
3-(2-cyclobutylethylamino)butanamide
CID 115893474
CID 178036338
CID 178036338
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)butanamide?
The IUPAC name of 3-(propylamino)butanamide (CID 54855476) is 3-(propylamino)butanamide.
What is the SMILES notation for 3-(propylamino)butanamide?
The canonical SMILES for 3-(propylamino)butanamide is CCCNC(C)CC(N)=O.
What is the InChIKey of 3-(propylamino)butanamide?
The InChIKey is NVMDMANHUPIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-9-6(2)5-7(8)10/h6,9H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of 3-(propylamino)butanamide?
3-(propylamino)butanamide has a molecular weight of 144.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)butanamide is sourced from PubChem (CID 54855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).