N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide

C13H15N3O2 — CID 60967211

IUPACN-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)18-10(2)12(17)16-13-14-7-8-15-13/h3-8,10H,1-2H3,(H2,14,15,16,17)
InChIKeyXWGJQTGIFOATNT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.12
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide

N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 60967211) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
PubChem CID60967211
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)18-10(2)12(17)16-13-14-7-8-15-13/h3-8,10H,1-2H3,(H2,14,15,16,17)
InChIKeyXWGJQTGIFOATNT-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)-2-(4-methylphenoxy)propanamide
CID 95973797
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide (CID 60967211) is N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ncc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is XWGJQTGIFOATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)18-10(2)12(17)16-13-14-7-8-15-13/h3-8,10H,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide?
N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 60967211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).