4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide

C24H24N2O3 — CID 108732561

IUPAC4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(Cc2ccccn2)c2ccccc2O)cc1C
InChIInChI=1S/C24H24N2O3/c1-17-10-11-19(15-18(17)2)22(27)12-13-24(29)26(16-20-7-5-6-14-25-20)21-8-3-4-9-23(21)28/h3-11,14-15,28H,12-13,16H2,1-2H3
InChIKeyUHDLPRLDACIUMC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.60
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide

4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 108732561) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
PubChem CID108732561
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(Cc2ccccn2)c2ccccc2O)cc1C
InChIInChI=1S/C24H24N2O3/c1-17-10-11-19(15-18(17)2)22(27)12-13-24(29)26(16-20-7-5-6-14-25-20)21-8-3-4-9-23(21)28/h3-11,14-15,28H,12-13,16H2,1-2H3
InChIKeyUHDLPRLDACIUMC-UHFFFAOYSA-N
XLogP4.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide (CID 108732561) is 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide is Cc1ccc(C(=O)CCC(=O)N(Cc2ccccn2)c2ccccc2O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is UHDLPRLDACIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-10-11-19(15-18(17)2)22(27)12-13-24(29)26(16-20-7-5-6-14-25-20)21-8-3-4-9-23(21)28/h3-11,14-15,28H,12-13,16H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 388.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 108732561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).