3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide

C20H25NO2 — CID 133160279

IUPAC3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-10-17(13-15(14)2)11-12-20(22)21-16(3)18-7-5-6-8-19(18)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyDWNABTDWVQGBMB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide

3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 133160279) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID133160279
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-10-17(13-15(14)2)11-12-20(22)21-16(3)18-7-5-6-8-19(18)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyDWNABTDWVQGBMB-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 60544467
3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 28557375
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
2-(4-methoxy-3-methylphenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 133187396
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 133160279) is 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1C(C)NC(=O)CCc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is DWNABTDWVQGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-9-10-17(13-15(14)2)11-12-20(22)21-16(3)18-7-5-6-8-19(18)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133160279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).