N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide

C15H19N3O2 — CID 3917768

IUPACN-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
SMILESCCOc1ccc(-c2cnc(NC(=O)CC)n2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-14(19)17-15-16-10-13(18(15)3)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyJLEZTYAUXJTHGR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.83
Rot. Bonds5

About N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide

N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide (PubChem CID 3917768) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
PubChem CID3917768
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
SMILESCCOc1ccc(-c2cnc(NC(=O)CC)n2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-14(19)17-15-16-10-13(18(15)3)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyJLEZTYAUXJTHGR-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18569144
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide
CID 35268412
5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 3665509
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride
CID 163328701
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
CID 647262
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327759
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
1-butyl-N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)imidazol-2-amine;oxalic acid
CID 146051200

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide (CID 3917768) is N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide is CCOc1ccc(-c2cnc(NC(=O)CC)n2C)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide?
The InChIKey is JLEZTYAUXJTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-14(19)17-15-16-10-13(18(15)3)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide?
N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide is sourced from PubChem (CID 3917768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).