N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide

C15H19N3O — CID 2939686

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-13-3-5-14(6-4-13)11-15(19)17-7-2-9-18-10-8-16-12-18/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19)
InChIKeyASYPHECHRFHUQK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.94
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide (PubChem CID 2939686) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide
PubChem CID2939686
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-13-3-5-14(6-4-13)11-15(19)17-7-2-9-18-10-8-16-12-18/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19)
InChIKeyASYPHECHRFHUQK-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide (CID 2939686) is N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide?
The InChIKey is ASYPHECHRFHUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-3-5-14(6-4-13)11-15(19)17-7-2-9-18-10-8-16-12-18/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 2939686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).