2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate

C18H19NO5 — CID 7654087

IUPAC2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-13(20)19-15-5-3-14(4-6-15)18(21)24-12-11-23-17-9-7-16(22-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyMOPZOGVJPASIJC-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate

2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate (PubChem CID 7654087) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
PubChem CID7654087
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-13(20)19-15-5-3-14(4-6-15)18(21)24-12-11-23-17-9-7-16(22-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyMOPZOGVJPASIJC-UHFFFAOYSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate (CID 7654087) is 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate is COc1ccc(OCCOC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate?
The InChIKey is MOPZOGVJPASIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-13(20)19-15-5-3-14(4-6-15)18(21)24-12-11-23-17-9-7-16(22-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate?
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate is sourced from PubChem (CID 7654087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).