N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide

C17H22N4O2 — CID 166305029

IUPACN'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
SMILESCCC(C)(C(N)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H22N4O2/c1-5-17(4,15(18)22)16(23)20-13-6-8-14(9-7-13)21-10-19-11(2)12(21)3/h6-10H,5H2,1-4H3,(H2,18,22)(H,20,23)
InChIKeyMWXPPCJDODVKCS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.33
Rot. Bonds5

About N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide

N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide (PubChem CID 166305029) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide.

Molecular Properties

Compound NameN'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
PubChem CID166305029
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
SMILESCCC(C)(C(N)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H22N4O2/c1-5-17(4,15(18)22)16(23)20-13-6-8-14(9-7-13)21-10-19-11(2)12(21)3/h6-10H,5H2,1-4H3,(H2,18,22)(H,20,23)
InChIKeyMWXPPCJDODVKCS-UHFFFAOYSA-N
XLogP2.33
TPSA90.01 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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
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
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
4-(4,5-dimethylimidazol-1-yl)-N-methylaniline
CID 167254257
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide?
The IUPAC name of N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide (CID 166305029) is N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide.
What is the SMILES notation for N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide?
The canonical SMILES for N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide is CCC(C)(C(N)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide?
The InChIKey is MWXPPCJDODVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-17(4,15(18)22)16(23)20-13-6-8-14(9-7-13)21-10-19-11(2)12(21)3/h6-10H,5H2,1-4H3,(H2,18,22)(H,20,23).
What are the key properties of N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide?
N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide has a molecular weight of 314.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 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-ethyl-2-methylpropanediamide is sourced from PubChem (CID 166305029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).