2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate

C20H23NO5 — CID 19167161

IUPAC2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23NO5/c1-14-4-5-15(2)18(12-14)26-13-19(22)21-17-8-6-16(7-9-17)20(23)25-11-10-24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyVWCCHGFSNCBEEA-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds8

About 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate

2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 19167161) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID19167161
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23NO5/c1-14-4-5-15(2)18(12-14)26-13-19(22)21-17-8-6-16(7-9-17)20(23)25-11-10-24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyVWCCHGFSNCBEEA-UHFFFAOYSA-N
XLogP3.12
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
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

4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
butyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7926958
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
2-methoxyethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55453302
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
ethyl 4-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932671

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate (CID 19167161) is 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate is COCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is VWCCHGFSNCBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-4-5-15(2)18(12-14)26-13-19(22)21-17-8-6-16(7-9-17)20(23)25-11-10-24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19167161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).