3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide

C12H22N4O — CID 66135289

IUPAC3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cncn1CC
InChIInChI=1S/C12H22N4O/c1-3-6-15-12(17)5-7-13-8-11-9-14-10-16(11)4-2/h9-10,13H,3-8H2,1-2H3,(H,15,17)
InChIKeyXELOWDBPACTSAL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds8

About 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide

3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide (PubChem CID 66135289) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
PubChem CID66135289
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cncn1CC
InChIInChI=1S/C12H22N4O/c1-3-6-15-12(17)5-7-13-8-11-9-14-10-16(11)4-2/h9-10,13H,3-8H2,1-2H3,(H,15,17)
InChIKeyXELOWDBPACTSAL-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
CID 106233413
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide (CID 66135289) is 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1cncn1CC.
What is the InChIKey of 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide?
The InChIKey is XELOWDBPACTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-6-15-12(17)5-7-13-8-11-9-14-10-16(11)4-2/h9-10,13H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide?
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 66135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).