methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate

C20H23NO5 — CID 7901202

IUPACmethyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-17-7-4-5-8-18(17)26-14-6-9-19(22)21-16-12-10-15(11-13-16)20(23)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22)
InChIKeyYESSTLYJGVYZRD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds9

About methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate

methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate (PubChem CID 7901202) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
PubChem CID7901202
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-17-7-4-5-8-18(17)26-14-6-9-19(22)21-16-12-10-15(11-13-16)20(23)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22)
InChIKeyYESSTLYJGVYZRD-UHFFFAOYSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.67
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

ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
methyl 4-(5-chloropentanoylamino)benzoate
CID 11507300
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
pentyl 4-[4-(2-methylphenoxy)butanoylamino]benzoate
CID 19173316
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate?
The IUPAC name of methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate (CID 7901202) is methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate.
What is the SMILES notation for methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate?
The canonical SMILES for methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate is CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate?
The InChIKey is YESSTLYJGVYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-17-7-4-5-8-18(17)26-14-6-9-19(22)21-16-12-10-15(11-13-16)20(23)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate?
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 7901202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).