2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide

C21H27NO4 — CID 78882858

IUPAC2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCCOc2ccc(C)cc2)c1
InChIInChI=1S/C21H27NO4/c1-16-6-8-18(9-7-16)26-13-5-4-12-22-21(23)15-17-14-19(24-2)10-11-20(17)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23)
InChIKeyBUGVJGURQUNECR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.53
Rot. Bonds10

About 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide (PubChem CID 78882858) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
PubChem CID78882858
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCCOc2ccc(C)cc2)c1
InChIInChI=1S/C21H27NO4/c1-16-6-8-18(9-7-16)26-13-5-4-12-22-21(23)15-17-14-19(24-2)10-11-20(17)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23)
InChIKeyBUGVJGURQUNECR-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 78811294
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799785
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide (CID 78882858) is 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide is COc1ccc(OC)c(CC(=O)NCCCCOc2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The InChIKey is BUGVJGURQUNECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-16-6-8-18(9-7-16)26-13-5-4-12-22-21(23)15-17-14-19(24-2)10-11-20(17)25-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide is sourced from PubChem (CID 78882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).