3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide

C20H25NO2 — CID 100550206

IUPAC3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C20H25NO2/c1-14(2)17-7-9-18(10-8-17)21-20(22)12-6-16-5-11-19(23-4)15(3)13-16/h5,7-11,13-14H,6,12H2,1-4H3,(H,21,22)
InChIKeyIWXYJISRYLXXCW-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.70
Rot. Bonds6

About 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide

3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 100550206) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID100550206
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C20H25NO2/c1-14(2)17-7-9-18(10-8-17)21-20(22)12-6-16-5-11-19(23-4)15(3)13-16/h5,7-11,13-14H,6,12H2,1-4H3,(H,21,22)
InChIKeyIWXYJISRYLXXCW-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100559042
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide (CID 100550206) is 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IWXYJISRYLXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)17-7-9-18(10-8-17)21-20(22)12-6-16-5-11-19(23-4)15(3)13-16/h5,7-11,13-14H,6,12H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide?
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 100550206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).