N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C20H23NO5 — CID 7643093

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(CCC(C)=O)cc2)c1
InChIInChI=1S/C20H23NO5/c1-14(22)4-5-15-6-8-16(9-7-15)26-13-20(23)21-18-12-17(24-2)10-11-19(18)25-3/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyMXPMJQAORQBAPO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.24
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 7643093) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID7643093
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(CCC(C)=O)cc2)c1
InChIInChI=1S/C20H23NO5/c1-14(22)4-5-15-6-8-16(9-7-15)26-13-20(23)21-18-12-17(24-2)10-11-19(18)25-3/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyMXPMJQAORQBAPO-UHFFFAOYSA-N
XLogP3.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 2086441
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 7643093) is N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is COc1ccc(OC)c(NC(=O)COc2ccc(CCC(C)=O)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is MXPMJQAORQBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(22)4-5-15-6-8-16(9-7-15)26-13-20(23)21-18-12-17(24-2)10-11-19(18)25-3/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 7643093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).