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

C23H24N2O — CID 14570078

IUPAC4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O/c1-18-6-4-9-22(16-18)20-10-12-21(13-11-20)23(26)25-15-3-2-7-19-8-5-14-24-17-19/h4-6,8-14,16-17H,2-3,7,15H2,1H3,(H,25,26)
InChIKeyOGIGFVYOCLHSSA-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.81
Rot. Bonds7

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

4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570078) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570078
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O/c1-18-6-4-9-22(16-18)20-10-12-21(13-11-20)23(26)25-15-3-2-7-19-8-5-14-24-17-19/h4-6,8-14,16-17H,2-3,7,15H2,1H3,(H,25,26)
InChIKeyOGIGFVYOCLHSSA-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570078) is 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is Cc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is OGIGFVYOCLHSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-18-6-4-9-22(16-18)20-10-12-21(13-11-20)23(26)25-15-3-2-7-19-8-5-14-24-17-19/h4-6,8-14,16-17H,2-3,7,15H2,1H3,(H,25,26).
What are the key properties of 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 344.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).