N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide

C18H21NO4 — CID 807400

IUPACN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21NO4/c1-12-5-6-13(2)17(9-12)23-11-18(20)19-15-10-14(21-3)7-8-16(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBZVZWAIYNSMLMN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.34
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide

N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 807400) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
PubChem CID807400
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21NO4/c1-12-5-6-13(2)17(9-12)23-11-18(20)19-15-10-14(21-3)7-8-16(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBZVZWAIYNSMLMN-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide (CID 807400) is N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide is COc1ccc(OC)c(NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is BZVZWAIYNSMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-5-6-13(2)17(9-12)23-11-18(20)19-15-10-14(21-3)7-8-16(15)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 807400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).