2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide

C18H21NO3 — CID 898678

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO3/c1-4-13-6-5-7-15(10-13)19-18(20)12-14-8-9-16(21-2)17(11-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyBHODAEJNLZVESG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.45
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide (PubChem CID 898678) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide
PubChem CID898678
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO3/c1-4-13-6-5-7-15(10-13)19-18(20)12-14-8-9-16(21-2)17(11-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyBHODAEJNLZVESG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide (CID 898678) is 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide?
The InChIKey is BHODAEJNLZVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-13-6-5-7-15(10-13)19-18(20)12-14-8-9-16(21-2)17(11-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 898678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).