3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

C22H22N2O2 — CID 60581343

IUPAC3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-16-5-7-18(8-6-16)9-12-22(25)24-19-10-11-21(17(2)14-19)26-20-4-3-13-23-15-20/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,24,25)
InChIKeyNXQQAGXXXBCXHB-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.06
Rot. Bonds6

About 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (PubChem CID 60581343) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
PubChem CID60581343
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-16-5-7-18(8-6-16)9-12-22(25)24-19-10-11-21(17(2)14-19)26-20-4-3-13-23-15-20/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,24,25)
InChIKeyNXQQAGXXXBCXHB-UHFFFAOYSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581120
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581147
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581261
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581004
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60581340
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (CID 60581343) is 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The InChIKey is NXQQAGXXXBCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-5-7-18(8-6-16)9-12-22(25)24-19-10-11-21(17(2)14-19)26-20-4-3-13-23-15-20/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,24,25).
What are the key properties of 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is sourced from PubChem (CID 60581343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).