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

C24H26N2O — CID 14570086

IUPAC4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C
InChIInChI=1S/C24H26N2O/c1-18-8-9-23(16-19(18)2)21-10-12-22(13-11-21)24(27)26-15-4-3-6-20-7-5-14-25-17-20/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27)
InChIKeyIZSBEPOPBLEMPA-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.12
Rot. Bonds7

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

4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570086) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570086
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C
InChIInChI=1S/C24H26N2O/c1-18-8-9-23(16-19(18)2)21-10-12-22(13-11-21)24(27)26-15-4-3-6-20-7-5-14-25-17-20/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27)
InChIKeyIZSBEPOPBLEMPA-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.12
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-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570086) is 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is Cc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is IZSBEPOPBLEMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18-8-9-23(16-19(18)2)21-10-12-22(13-11-21)24(27)26-15-4-3-6-20-7-5-14-25-17-20/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,27).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 358.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).