2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide

C17H23N3O3 — CID 155567263

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-13-11-18-12-20(13)8-4-7-19-17(21)10-14-5-6-15(22-2)16(9-14)23-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,21)
InChIKeyYMTVHXYNSPQUBD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.96
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide (PubChem CID 155567263) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide
PubChem CID155567263
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-13-11-18-12-20(13)8-4-7-19-17(21)10-14-5-6-15(22-2)16(9-14)23-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,21)
InChIKeyYMTVHXYNSPQUBD-UHFFFAOYSA-N
XLogP1.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide (CID 155567263) is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide is COc1ccc(CC(=O)NCCCn2cncc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide?
The InChIKey is YMTVHXYNSPQUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-11-18-12-20(13)8-4-7-19-17(21)10-14-5-6-15(22-2)16(9-14)23-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 155567263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).