2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide

C17H22N4O2 — CID 166248907

IUPAC2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
SMILESCCC(NC(C)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H22N4O2/c1-5-16(19-13(4)22)17(23)20-14-6-8-15(9-7-14)21-10-18-11(2)12(21)3/h6-10,16H,5H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWMSXIEBJMQSRHK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.34
Rot. Bonds5

About 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide

2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide (PubChem CID 166248907) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
PubChem CID166248907
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
SMILESCCC(NC(C)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H22N4O2/c1-5-16(19-13(4)22)17(23)20-14-6-8-15(9-7-14)21-10-18-11(2)12(21)3/h6-10,16H,5H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWMSXIEBJMQSRHK-UHFFFAOYSA-N
XLogP2.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide?
The IUPAC name of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide (CID 166248907) is 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide?
The canonical SMILES for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide is CCC(NC(C)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide?
The InChIKey is WMSXIEBJMQSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-16(19-13(4)22)17(23)20-14-6-8-15(9-7-14)21-10-18-11(2)12(21)3/h6-10,16H,5H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide?
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 166248907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).