dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate

C20H21NO6 — CID 2711605

IUPACdimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCCc1cccc(OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1
InChIInChI=1S/C20H21NO6/c1-4-13-6-5-7-17(8-13)27-12-18(22)21-16-10-14(19(23)25-2)9-15(11-16)20(24)26-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyNOOGOLSJIYEACI-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.84
Rot. Bonds7

About dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 2711605) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID2711605
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namedimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCCc1cccc(OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1
InChIInChI=1S/C20H21NO6/c1-4-13-6-5-7-17(8-13)27-12-18(22)21-16-10-14(19(23)25-2)9-15(11-16)20(24)26-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyNOOGOLSJIYEACI-UHFFFAOYSA-N
XLogP2.84
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
dimethyl 5-[[2-(3-cyanophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2591381
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
CID 28867409
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 43430758
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate (CID 2711605) is dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate is CCc1cccc(OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1.
What is the InChIKey of dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is NOOGOLSJIYEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-4-13-6-5-7-17(8-13)27-12-18(22)21-16-10-14(19(23)25-2)9-15(11-16)20(24)26-3/h5-11H,4,12H2,1-3H3,(H,21,22).
What are the key properties of dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 371.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 2711605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).