2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

C18H21NO3 — CID 9428047

IUPAC2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)12-19-18(20)10-15-8-9-16(21-2)11-17(15)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,20)
InChIKeyJHMIZAJWCHDSGD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.87
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 9428047) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID9428047
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)12-19-18(20)10-15-8-9-16(21-2)11-17(15)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,20)
InChIKeyJHMIZAJWCHDSGD-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
4-methoxy-2-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]benzamide
CID 18085837
3-[2-[[ethyl(methyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-methylphenyl)methyl]propanamide
CID 161466164
2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 9428047) is 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JHMIZAJWCHDSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)12-19-18(20)10-15-8-9-16(21-2)11-17(15)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 9428047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).