2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

C24H26N2O — CID 60521938

IUPAC2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-3-7-19-10-12-20(13-11-19)18-23(27)26-24(21-8-5-4-6-9-21)22-14-16-25-17-15-22/h4-6,8-17,24H,2-3,7,18H2,1H3,(H,26,27)
InChIKeyLJGOMCDGXVQMRY-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.87
Rot. Bonds8

About 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (PubChem CID 60521938) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
PubChem CID60521938
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-3-7-19-10-12-20(13-11-19)18-23(27)26-24(21-8-5-4-6-9-21)22-14-16-25-17-15-22/h4-6,8-17,24H,2-3,7,18H2,1H3,(H,26,27)
InChIKeyLJGOMCDGXVQMRY-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100598169
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60599214

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (CID 60521938) is 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is CCCCc1ccc(CC(=O)NC(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The InChIKey is LJGOMCDGXVQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-3-7-19-10-12-20(13-11-19)18-23(27)26-24(21-8-5-4-6-9-21)22-14-16-25-17-15-22/h4-6,8-17,24H,2-3,7,18H2,1H3,(H,26,27).
What are the key properties of 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 60521938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).