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

C15H19NO5 — CID 2120008

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C2CCC2)c1
InChIInChI=1S/C15H19NO5/c1-19-11-6-7-13(20-2)12(8-11)16-14(17)9-21-15(18)10-4-3-5-10/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGAGIPMMXIXKNQY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.99
Rot. Bonds6

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

[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 2120008) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID2120008
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C2CCC2)c1
InChIInChI=1S/C15H19NO5/c1-19-11-6-7-13(20-2)12(8-11)16-14(17)9-21-15(18)10-4-3-5-10/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGAGIPMMXIXKNQY-UHFFFAOYSA-N
XLogP1.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 2120008) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate is COc1ccc(OC)c(NC(=O)COC(=O)C2CCC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is GAGIPMMXIXKNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-11-6-7-13(20-2)12(8-11)16-14(17)9-21-15(18)10-4-3-5-10/h6-8,10H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.99, 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] cyclobutanecarboxylate is sourced from PubChem (CID 2120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).