4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide

C24H24N2O2 — CID 51152072

IUPAC4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H24N2O2/c1-2-18-11-13-19(14-12-18)22(27)15-16-23(28)26-24(20-8-4-3-5-9-20)21-10-6-7-17-25-21/h3-14,17,24H,2,15-16H2,1H3,(H,26,28)
InChIKeyZJLLFBNSLPTIKI-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.51
Rot. Bonds8

About 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide

4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide (PubChem CID 51152072) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
PubChem CID51152072
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H24N2O2/c1-2-18-11-13-19(14-12-18)22(27)15-16-23(28)26-24(20-8-4-3-5-9-20)21-10-6-7-17-25-21/h3-14,17,24H,2,15-16H2,1H3,(H,26,28)
InChIKeyZJLLFBNSLPTIKI-UHFFFAOYSA-N
XLogP4.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
CID 39676655
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide (CID 51152072) is 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide is CCc1ccc(C(=O)CCC(=O)NC(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The InChIKey is ZJLLFBNSLPTIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-18-11-13-19(14-12-18)22(27)15-16-23(28)26-24(20-8-4-3-5-9-20)21-10-6-7-17-25-21/h3-14,17,24H,2,15-16H2,1H3,(H,26,28).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide?
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide has a molecular weight of 372.47 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-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide is sourced from PubChem (CID 51152072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).