3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide

C23H24N2O2 — CID 134048419

IUPAC3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C23H24N2O2/c1-17-14-18(2)16-20(15-17)27-13-11-22(26)25-23(19-8-4-3-5-9-19)21-10-6-7-12-24-21/h3-10,12,14-16,23H,11,13H2,1-2H3,(H,25,26)
InChIKeyQMFDENWUKVJTQB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.37
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide

3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 134048419) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID134048419
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C23H24N2O2/c1-17-14-18(2)16-20(15-17)27-13-11-22(26)25-23(19-8-4-3-5-9-19)21-10-6-7-12-24-21/h3-10,12,14-16,23H,11,13H2,1-2H3,(H,25,26)
InChIKeyQMFDENWUKVJTQB-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931199
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 24509475
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
3-(3,5-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42949172
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 134048419) is 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide is Cc1cc(C)cc(OCCC(=O)NC(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is QMFDENWUKVJTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-14-18(2)16-20(15-17)27-13-11-22(26)25-23(19-8-4-3-5-9-19)21-10-6-7-12-24-21/h3-10,12,14-16,23H,11,13H2,1-2H3,(H,25,26).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 134048419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).