2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C28H26N2O2 — CID 72545081

IUPAC2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1
InChIInChI=1S/C28H26N2O2/c1-19-17-25(15-16-29-19)21-7-11-26(12-8-21)30-28(31)20(2)23-5-4-6-24(18-23)22-9-13-27(32-3)14-10-22/h4-18,20H,1-3H3,(H,30,31)
InChIKeyJFULHNJRFZLGIX-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.47
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 72545081) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID72545081
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1
InChIInChI=1S/C28H26N2O2/c1-19-17-25(15-16-29-19)21-7-11-26(12-8-21)30-28(31)20(2)23-5-4-6-24(18-23)22-9-13-27(32-3)14-10-22/h4-18,20H,1-3H3,(H,30,31)
InChIKeyJFULHNJRFZLGIX-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 72545081) is 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is COc1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is JFULHNJRFZLGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-19-17-25(15-16-29-19)21-7-11-26(12-8-21)30-28(31)20(2)23-5-4-6-24(18-23)22-9-13-27(32-3)14-10-22/h4-18,20H,1-3H3,(H,30,31).
What are the key properties of 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 72545081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).