3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C23H24N2O2 — CID 100559042

IUPAC3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-17-15-18(5-9-22(17)27-2)6-10-23(26)25-21-7-3-19(4-8-21)16-20-11-13-24-14-12-20/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,26)
InChIKeySPQPEKXDUHTVOA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.56
Rot. Bonds7

About 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 100559042) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID100559042
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-17-15-18(5-9-22(17)27-2)6-10-23(26)25-21-7-3-19(4-8-21)16-20-11-13-24-14-12-20/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,26)
InChIKeySPQPEKXDUHTVOA-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 100559042) is 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is SPQPEKXDUHTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-15-18(5-9-22(17)27-2)6-10-23(26)25-21-7-3-19(4-8-21)16-20-11-13-24-14-12-20/h3-5,7-9,11-15H,6,10,16H2,1-2H3,(H,25,26).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 100559042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).