3-[acetyl(propyl)amino]propanamide

C8H16N2O2 — CID 54380548

IUPAC3-[acetyl(propyl)amino]propanamide
SMILESCCCN(CCC(N)=O)C(C)=O
InChIInChI=1S/C8H16N2O2/c1-3-5-10(7(2)11)6-4-8(9)12/h3-6H2,1-2H3,(H2,9,12)
InChIKeyPHCDSEINBORHOG-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.12
Rot. Bonds5

About 3-[acetyl(propyl)amino]propanamide

3-[acetyl(propyl)amino]propanamide (PubChem CID 54380548) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]propanamide
PubChem CID54380548
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[acetyl(propyl)amino]propanamide
SMILESCCCN(CCC(N)=O)C(C)=O
InChIInChI=1S/C8H16N2O2/c1-3-5-10(7(2)11)6-4-8(9)12/h3-6H2,1-2H3,(H2,9,12)
InChIKeyPHCDSEINBORHOG-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamidopropyl trimonium chloride
CID 57483053
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
Nitrilotripropionamide
CID 75874
N,N,N',N'-Tetraethylmalonamide
CID 551770
Spermidine, N,N',N''-triacetyl-
CID 14365608
Acetic acid, 1-(3-amino-3-oxopropyl)-2,2-dimethylhydrazide
CID 3024685
Butanoic acid, 1-(3-amino-3-oxopropyl)-2,2-dimethylhydrazide
CID 3024686
N(1)-Acetylnorspermidine
CID 129852
N,N,N',N'-Tetrapropylmalonamide
CID 2384358
Propanamide, N-(3-(dimethylamino)propyl)-
CID 104430
N(4)-Acetylspermidine
CID 128317
N1,N8-Diacetylspermidine
CID 389613

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]propanamide (CID 54380548) is 3-[acetyl(propyl)amino]propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]propanamide is CCCN(CCC(N)=O)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]propanamide?
The InChIKey is PHCDSEINBORHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-10(7(2)11)6-4-8(9)12/h3-6H2,1-2H3,(H2,9,12).
What are the key properties of 3-[acetyl(propyl)amino]propanamide?
3-[acetyl(propyl)amino]propanamide has a molecular weight of 172.23 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]propanamide is sourced from PubChem (CID 54380548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).