3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

C25H28N2O — CID 60592502

IUPAC3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C25H28N2O/c1-25(2,3)22-12-9-19(10-13-22)11-14-23(28)27-24(20-7-5-4-6-8-20)21-15-17-26-18-16-21/h4-10,12-13,15-18,24H,11,14H2,1-3H3,(H,27,28)
InChIKeyOYSNMMFNKJUBHJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.22
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (PubChem CID 60592502) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
PubChem CID60592502
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C25H28N2O/c1-25(2,3)22-12-9-19(10-13-22)11-14-23(28)27-24(20-7-5-4-6-8-20)21-15-17-26-18-16-21/h4-10,12-13,15-18,24H,11,14H2,1-3H3,(H,27,28)
InChIKeyOYSNMMFNKJUBHJ-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 99951707
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
CID 59689158
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (CID 60592502) is 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is CC(C)(C)c1ccc(CCC(=O)NC(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The InChIKey is OYSNMMFNKJUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-25(2,3)22-12-9-19(10-13-22)11-14-23(28)27-24(20-7-5-4-6-8-20)21-15-17-26-18-16-21/h4-10,12-13,15-18,24H,11,14H2,1-3H3,(H,27,28).
What are the key properties of 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 60592502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).