4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide

C14H25N3O — CID 19965025

IUPAC4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1ccnc1C
InChIInChI=1S/C14H25N3O/c1-4-9-17(10-5-2)14(18)7-6-11-16-12-8-15-13(16)3/h8,12H,4-7,9-11H2,1-3H3
InChIKeyYFSRPOXISVOKKN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds8

About 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide

4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide (PubChem CID 19965025) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide
PubChem CID19965025
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1ccnc1C
InChIInChI=1S/C14H25N3O/c1-4-9-17(10-5-2)14(18)7-6-11-16-12-8-15-13(16)3/h8,12H,4-7,9-11H2,1-3H3
InChIKeyYFSRPOXISVOKKN-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
2-methyl-1-octadec-9-enylimidazole
CID 54514402

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide (CID 19965025) is 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCCn1ccnc1C.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide?
The InChIKey is YFSRPOXISVOKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-17(10-5-2)14(18)7-6-11-16-12-8-15-13(16)3/h8,12H,4-7,9-11H2,1-3H3.
What are the key properties of 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide?
4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide has a molecular weight of 251.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide is sourced from PubChem (CID 19965025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).