N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide

C15H19N3O2 — CID 112723531

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)n2ccnc2)c1
InChIInChI=1S/C15H19N3O2/c1-12-8-13(2)10-14(9-12)20-7-6-17(3)15(19)18-5-4-16-11-18/h4-5,8-11H,6-7H2,1-3H3
InChIKeyGHQUNUJMXVPQMB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide (PubChem CID 112723531) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide
PubChem CID112723531
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)n2ccnc2)c1
InChIInChI=1S/C15H19N3O2/c1-12-8-13(2)10-14(9-12)20-7-6-17(3)15(19)18-5-4-16-11-18/h4-5,8-11H,6-7H2,1-3H3
InChIKeyGHQUNUJMXVPQMB-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95290068
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
CID 18119674
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide (CID 112723531) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)n2ccnc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide?
The InChIKey is GHQUNUJMXVPQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-8-13(2)10-14(9-12)20-7-6-17(3)15(19)18-5-4-16-11-18/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 112723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).