N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide

C15H19N3O — CID 18722753

IUPACN-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide
SMILESCc1cncn1CCCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c1-13-11-16-12-18(13)9-5-8-17-15(19)10-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,17,19)
InChIKeyREPWIFIICNLEIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.94
Rot. Bonds6

About N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide

N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide (PubChem CID 18722753) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide
PubChem CID18722753
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide
SMILESCc1cncn1CCCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c1-13-11-16-12-18(13)9-5-8-17-15(19)10-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,17,19)
InChIKeyREPWIFIICNLEIT-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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Related Compounds

1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea
CID 178064414
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
benzyl 2-(5-methylimidazol-1-yl)acetate
CID 118639372
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773689
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 25022550
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide?
The IUPAC name of N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide (CID 18722753) is N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide is Cc1cncn1CCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide?
The InChIKey is REPWIFIICNLEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-11-16-12-18(13)9-5-8-17-15(19)10-14-6-3-2-4-7-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,17,19).
What are the key properties of N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide?
N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide 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-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 18722753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).