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

C19H27N3O3 — CID 155547313

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C19H27N3O3/c1-14-12-20-13-22(14)10-6-9-21-18(23)19(2,3)15-7-8-16(24-4)17(11-15)25-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,21,23)
InChIKeyVMQVIZIOFJDWEI-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.69
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide (PubChem CID 155547313) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
PubChem CID155547313
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C19H27N3O3/c1-14-12-20-13-22(14)10-6-9-21-18(23)19(2,3)15-7-8-16(24-4)17(11-15)25-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,21,23)
InChIKeyVMQVIZIOFJDWEI-UHFFFAOYSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl)-1-butanone
CID 9915813
2-(4-ethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17582891
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidineacetamide
CID 16116564
2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethyl]-3-(3-methyl-3H-imidazol-4-yl)-propionamide
CID 44269246
1-(3,4-Dimethoxyphenyl)-N-(3-(5-methyl-1H-imidazol-1-yl)propyl)cyclopropanecarbothioamide
CID 44549233
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 44549630
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-pyridin-3-ylpropanamide
CID 155520479
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 155523704
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
CID 155531729
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 155532055
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide
CID 155534568
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide
CID 155541815

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide (CID 155547313) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide is COc1ccc(C(C)(C)C(=O)NCCCn2cncc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The InChIKey is VMQVIZIOFJDWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-12-20-13-22(14)10-6-9-21-18(23)19(2,3)15-7-8-16(24-4)17(11-15)25-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.69, 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)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 155547313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).