[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C23H28N2O6 — CID 27970560

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H28N2O6/c1-14(2)19-8-7-18(10-15(19)3)30-13-23(28)31-12-22(27)25-20-11-17(24-16(4)26)6-9-21(20)29-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYKBBTVADIUUPCW-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.65
Rot. Bonds9

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 27970560) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID27970560
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H28N2O6/c1-14(2)19-8-7-18(10-15(19)3)30-13-23(28)31-12-22(27)25-20-11-17(24-16(4)26)6-9-21(20)29-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYKBBTVADIUUPCW-UHFFFAOYSA-N
XLogP3.65
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273717
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 27970560) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is YKBBTVADIUUPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-14(2)19-8-7-18(10-15(19)3)30-13-23(28)31-12-22(27)25-20-11-17(24-16(4)26)6-9-21(20)29-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 428.49 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 27970560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).