N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide

C17H23N3O2 — CID 166215873

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
SMILESCOC(C(=O)Nc1ccc(-n2cnc(C)c2C)cc1)C(C)C
InChIInChI=1S/C17H23N3O2/c1-11(2)16(22-5)17(21)19-14-6-8-15(9-7-14)20-10-18-12(3)13(20)4/h6-11,16H,1-5H3,(H,19,21)
InChIKeyZCVWIQZCCGXNNA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide (PubChem CID 166215873) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
PubChem CID166215873
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
SMILESCOC(C(=O)Nc1ccc(-n2cnc(C)c2C)cc1)C(C)C
InChIInChI=1S/C17H23N3O2/c1-11(2)16(22-5)17(21)19-14-6-8-15(9-7-14)20-10-18-12(3)13(20)4/h6-11,16H,1-5H3,(H,19,21)
InChIKeyZCVWIQZCCGXNNA-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide (CID 166215873) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide is COC(C(=O)Nc1ccc(-n2cnc(C)c2C)cc1)C(C)C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide?
The InChIKey is ZCVWIQZCCGXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)16(22-5)17(21)19-14-6-8-15(9-7-14)20-10-18-12(3)13(20)4/h6-11,16H,1-5H3,(H,19,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide is sourced from PubChem (CID 166215873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).