4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

C23H24N2O2 — CID 14570080

IUPAC4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-4-8-21(16-22)19-10-12-20(13-11-19)23(26)25-15-3-2-6-18-7-5-14-24-17-18/h4-5,7-14,16-17H,2-3,6,15H2,1H3,(H,25,26)
InChIKeyIUOQFBIXEHTSNB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.51
Rot. Bonds8

About 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570080) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570080
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-4-8-21(16-22)19-10-12-20(13-11-19)23(26)25-15-3-2-6-18-7-5-14-24-17-18/h4-5,7-14,16-17H,2-3,6,15H2,1H3,(H,25,26)
InChIKeyIUOQFBIXEHTSNB-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570080) is 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is IUOQFBIXEHTSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-9-4-8-21(16-22)19-10-12-20(13-11-19)23(26)25-15-3-2-6-18-7-5-14-24-17-18/h4-5,7-14,16-17H,2-3,6,15H2,1H3,(H,25,26).
What are the key properties of 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).