[2-(4-methoxyanilino)-2-oxoethyl] propanoate

C12H15NO4 — CID 7851370

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-12(15)17-8-11(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyIOTMMKYRRLWBKK-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds5

About [2-(4-methoxyanilino)-2-oxoethyl] propanoate

[2-(4-methoxyanilino)-2-oxoethyl] propanoate (PubChem CID 7851370) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] propanoate
PubChem CID7851370
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-12(15)17-8-11(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyIOTMMKYRRLWBKK-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
CID 46512060
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149
[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] propanoate (CID 7851370) is [2-(4-methoxyanilino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] propanoate?
The InChIKey is IOTMMKYRRLWBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-12(15)17-8-11(14)13-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] propanoate?
[2-(4-methoxyanilino)-2-oxoethyl] propanoate has a molecular weight of 237.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] propanoate is sourced from PubChem (CID 7851370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).