3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide

C26H26N2O — CID 11851550

IUPAC3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)23-12-7-19(8-13-23)9-16-25(29)28-24-14-10-21(11-15-24)22-6-4-5-20(17-22)18-27/h4-8,10-15,17H,9,16H2,1-3H3,(H,28,29)
InChIKeyWWJPJGHXZUPTDE-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.09
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide

3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide (PubChem CID 11851550) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide
PubChem CID11851550
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)23-12-7-19(8-13-23)9-16-25(29)28-24-14-10-21(11-15-24)22-6-4-5-20(17-22)18-27/h4-8,10-15,17H,9,16H2,1-3H3,(H,28,29)
InChIKeyWWJPJGHXZUPTDE-UHFFFAOYSA-N
XLogP6.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
CID 11852066
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide (CID 11851550) is 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3cccc(C#N)c3)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide?
The InChIKey is WWJPJGHXZUPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-26(2,3)23-12-7-19(8-13-23)9-16-25(29)28-24-14-10-21(11-15-24)22-6-4-5-20(17-22)18-27/h4-8,10-15,17H,9,16H2,1-3H3,(H,28,29).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide?
3-(4-tert-butylphenyl)-N-[4-(3-cyanophenyl)phenyl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 6.09, 5 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-[4-(3-cyanophenyl)phenyl]propanamide is sourced from PubChem (CID 11851550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).