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

C20H25NO2 — CID 18129621

IUPAC3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-15-4-7-18(16(2)14-15)8-11-20(22)21-13-12-17-5-9-19(23-3)10-6-17/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22)
InChIKeyRNODQVHLXGCFHL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.60
Rot. Bonds7

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

3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 18129621) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID18129621
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-15-4-7-18(16(2)14-15)8-11-20(22)21-13-12-17-5-9-19(23-3)10-6-17/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22)
InChIKeyRNODQVHLXGCFHL-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 18129621) is 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RNODQVHLXGCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-4-7-18(16(2)14-15)8-11-20(22)21-13-12-17-5-9-19(23-3)10-6-17/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 18129621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).