4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

C24H26N2O3 — CID 14570087

IUPAC4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-22-13-12-21(16-23(22)29-2)19-8-10-20(11-9-19)24(27)26-15-4-3-6-18-7-5-14-25-17-18/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27)
InChIKeyHVGASOZHTGTJGC-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.52
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570087) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570087
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-22-13-12-21(16-23(22)29-2)19-8-10-20(11-9-19)24(27)26-15-4-3-6-18-7-5-14-25-17-18/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27)
InChIKeyHVGASOZHTGTJGC-UHFFFAOYSA-N
XLogP4.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570087) is 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is HVGASOZHTGTJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-22-13-12-21(16-23(22)29-2)19-8-10-20(11-9-19)24(27)26-15-4-3-6-18-7-5-14-25-17-18/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).