1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide

C22H31N3O3 — CID 155532055

IUPAC1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CCCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-17-15-23-16-25(17)13-7-12-24-21(26)22(10-5-4-6-11-22)18-8-9-19(27-2)20(14-18)28-3/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,26)
InChIKeyGVWGRGAXTFLLGH-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.62
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 155532055) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID155532055
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CCCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-17-15-23-16-25(17)13-7-12-24-21(26)22(10-5-4-6-11-22)18-8-9-19(27-2)20(14-18)28-3/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,26)
InChIKeyGVWGRGAXTFLLGH-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

1-(1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl)-1-butanone
CID 9915813
2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethyl]-3-(1H-imidazol-4-yl)-propionamide
CID 11763303
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
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3,4-dimethoxybenzamide
CID 134369568
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
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 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide (CID 155532055) is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)NCCCn3cncc3C)CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is GVWGRGAXTFLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17-15-23-16-25(17)13-7-12-24-21(26)22(10-5-4-6-11-22)18-8-9-19(27-2)20(14-18)28-3/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155532055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).