3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide

C11H20N2O2 — CID 113115511

IUPAC3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
SMILESC=CCN(CCC(=O)NCCC)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-7-12-11(15)6-9-13(8-5-2)10(3)14/h5H,2,4,6-9H2,1,3H3,(H,12,15)
InChIKeyDLJABGOXLQLHGS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.94
Rot. Bonds7

About 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide

3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide (PubChem CID 113115511) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
PubChem CID113115511
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
SMILESC=CCN(CCC(=O)NCCC)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-7-12-11(15)6-9-13(8-5-2)10(3)14/h5H,2,4,6-9H2,1,3H3,(H,12,15)
InChIKeyDLJABGOXLQLHGS-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide (CID 113115511) is 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide is C=CCN(CCC(=O)NCCC)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide?
The InChIKey is DLJABGOXLQLHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-7-12-11(15)6-9-13(8-5-2)10(3)14/h5H,2,4,6-9H2,1,3H3,(H,12,15).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide?
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide is sourced from PubChem (CID 113115511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).