methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate

C18H19NO4 — CID 19175752

IUPACmethyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
SMILESCCc1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H19NO4/c1-3-13-6-4-5-7-16(13)23-12-17(20)19-15-10-8-14(9-11-15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIUKTYRDKAJOYSL-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate

methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate (PubChem CID 19175752) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
PubChem CID19175752
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
SMILESCCc1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H19NO4/c1-3-13-6-4-5-7-16(13)23-12-17(20)19-15-10-8-14(9-11-15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIUKTYRDKAJOYSL-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 55549107
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
hexyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 19237223
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate (CID 19175752) is methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate is CCc1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The InChIKey is IUKTYRDKAJOYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-13-6-4-5-7-16(13)23-12-17(20)19-15-10-8-14(9-11-15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19175752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).