[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate

C13H17NO5 — CID 2086138

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H17NO5/c1-4-13(16)19-8-12(15)14-10-7-9(17-2)5-6-11(10)18-3/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyVGCDNBUMZFVMSV-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.60
Rot. Bonds6

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate (PubChem CID 2086138) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
PubChem CID2086138
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H17NO5/c1-4-13(16)19-8-12(15)14-10-7-9(17-2)5-6-11(10)18-3/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyVGCDNBUMZFVMSV-UHFFFAOYSA-N
XLogP1.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539686
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate (CID 2086138) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate?
The InChIKey is VGCDNBUMZFVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-13(16)19-8-12(15)14-10-7-9(17-2)5-6-11(10)18-3/h5-7H,4,8H2,1-3H3,(H,14,15).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate has a molecular weight of 267.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate is sourced from PubChem (CID 2086138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).