2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C21H25NO6 — CID 34061017

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2cc(OC)ccc2C(C)=O)cc1
InChIInChI=1S/C21H25NO6/c1-4-26-16-5-7-17(8-6-16)27-12-11-22-21(24)14-28-20-13-18(25-3)9-10-19(20)15(2)23/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyRRYSGEJLLILSIJ-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.87
Rot. Bonds11

About 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 34061017) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID34061017
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2cc(OC)ccc2C(C)=O)cc1
InChIInChI=1S/C21H25NO6/c1-4-26-16-5-7-17(8-6-16)27-12-11-22-21(24)14-28-20-13-18(25-3)9-10-19(20)15(2)23/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyRRYSGEJLLILSIJ-UHFFFAOYSA-N
XLogP2.87
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 115280511
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
N-[2-(4-methoxyphenoxy)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978061
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 34061017) is 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)COc2cc(OC)ccc2C(C)=O)cc1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is RRYSGEJLLILSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-4-26-16-5-7-17(8-6-16)27-12-11-22-21(24)14-28-20-13-18(25-3)9-10-19(20)15(2)23/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 2.87, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 34061017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).