2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide

C21H24ClNO4 — CID 4800556

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C21H24ClNO4/c1-5-14-7-9-17(22)16(6-2)21(14)23-20(25)12-27-18-10-8-15(13(3)24)11-19(18)26-4/h7-11H,5-6,12H2,1-4H3,(H,23,25)
InChIKeyJECHFGHEZRTCAQ-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.69
Rot. Bonds8

About 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide (PubChem CID 4800556) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide
PubChem CID4800556
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C21H24ClNO4/c1-5-14-7-9-17(22)16(6-2)21(14)23-20(25)12-27-18-10-8-15(13(3)24)11-19(18)26-4/h7-11H,5-6,12H2,1-4H3,(H,23,25)
InChIKeyJECHFGHEZRTCAQ-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
N-(3-chloro-2,6-diethylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7920613
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26198372
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide (CID 4800556) is 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide is CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide?
The InChIKey is JECHFGHEZRTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-5-14-7-9-17(22)16(6-2)21(14)23-20(25)12-27-18-10-8-15(13(3)24)11-19(18)26-4/h7-11H,5-6,12H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide has a molecular weight of 389.88 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide is sourced from PubChem (CID 4800556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).