N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide

C17H23N3O3 — CID 166215727

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H23N3O3/c1-12-13(2)20(11-18-12)16-7-5-15(6-8-16)19-17(21)14(3)23-10-9-22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,21)
InChIKeyCUACNFBJDSWKOG-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.48
Rot. Bonds7

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide (PubChem CID 166215727) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
PubChem CID166215727
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H23N3O3/c1-12-13(2)20(11-18-12)16-7-5-15(6-8-16)19-17(21)14(3)23-10-9-22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,21)
InChIKeyCUACNFBJDSWKOG-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
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
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]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 166215738
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
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
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-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide (CID 166215727) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide is COCCOC(C)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is CUACNFBJDSWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-13(2)20(11-18-12)16-7-5-15(6-8-16)19-17(21)14(3)23-10-9-22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 166215727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).