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

C20H27N3O3 — CID 155541815

IUPAC1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CCC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-15-13-21-14-23(15)11-5-10-22-19(24)20(8-4-9-20)16-6-7-17(25-2)18(12-16)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,22,24)
InChIKeyCNVTZAYDFMURGV-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.84
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide (PubChem CID 155541815) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide
PubChem CID155541815
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CCC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-15-13-21-14-23(15)11-5-10-22-19(24)20(8-4-9-20)16-6-7-17(25-2)18(12-16)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,22,24)
InChIKeyCNVTZAYDFMURGV-UHFFFAOYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.84
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]cyclobutane-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide (CID 155541815) is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide is COc1ccc(C2(C(=O)NCCCn3cncc3C)CCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide?
The InChIKey is CNVTZAYDFMURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-13-21-14-23(15)11-5-10-22-19(24)20(8-4-9-20)16-6-7-17(25-2)18(12-16)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,22,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.84, 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]cyclobutane-1-carboxamide is sourced from PubChem (CID 155541815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).