propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate

C19H21NO5 — CID 19204042

IUPACpropyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-3-11-24-19(22)14-7-9-15(10-8-14)20-18(21)13-25-17-6-4-5-16(12-17)23-2/h4-10,12H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyIHWORLUAYMUXMY-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds8

About propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate

propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 19204042) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID19204042
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namepropyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-3-11-24-19(22)14-7-9-15(10-8-14)20-18(21)13-25-17-6-4-5-16(12-17)23-2/h4-10,12H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyIHWORLUAYMUXMY-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7803729
hexyl 4-[[2-(3-chlorophenoxy)acetyl]amino]benzoate
CID 19165925
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 8792619
N-(3-amino-4-ethylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867334
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961513
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate (CID 19204042) is propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1.
What is the InChIKey of propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is IHWORLUAYMUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-11-24-19(22)14-7-9-15(10-8-14)20-18(21)13-25-17-6-4-5-16(12-17)23-2/h4-10,12H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19204042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).