N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide

C17H22N4O2 — CID 131931278

IUPACN-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1cc(C)ccc1NC(C)=O
InChIInChI=1S/C17H22N4O2/c1-4-16-18-8-10-21(16)9-7-17(23)20-15-11-12(2)5-6-14(15)19-13(3)22/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyOKHCJJNFPSCNJK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds6

About N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide

N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 131931278) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID131931278
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1cc(C)ccc1NC(C)=O
InChIInChI=1S/C17H22N4O2/c1-4-16-18-8-10-21(16)9-7-17(23)20-15-11-12(2)5-6-14(15)19-13(3)22/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyOKHCJJNFPSCNJK-UHFFFAOYSA-N
XLogP2.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide (CID 131931278) is N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)Nc1cc(C)ccc1NC(C)=O.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is OKHCJJNFPSCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-16-18-8-10-21(16)9-7-17(23)20-15-11-12(2)5-6-14(15)19-13(3)22/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide?
N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 131931278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).