3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide

C14H25N3O — CID 19964982

IUPAC3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCn1cnc(C)c1C
InChIInChI=1S/C14H25N3O/c1-5-8-16(9-6-2)14(18)7-10-17-11-15-12(3)13(17)4/h11H,5-10H2,1-4H3
InChIKeyILYLCDPLWWLWNF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds7

About 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide

3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide (PubChem CID 19964982) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide
PubChem CID19964982
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCn1cnc(C)c1C
InChIInChI=1S/C14H25N3O/c1-5-8-16(9-6-2)14(18)7-10-17-11-15-12(3)13(17)4/h11H,5-10H2,1-4H3
InChIKeyILYLCDPLWWLWNF-UHFFFAOYSA-N
XLogP2.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide (CID 19964982) is 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCn1cnc(C)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide?
The InChIKey is ILYLCDPLWWLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-16(9-6-2)14(18)7-10-17-11-15-12(3)13(17)4/h11H,5-10H2,1-4H3.
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide?
3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide is sourced from PubChem (CID 19964982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).