[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C19H25NO4 — CID 5203806

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C19H25NO4/c1-2-23-17-7-5-16(6-8-17)20-18(21)12-24-19(22)11-15-10-13-3-4-14(15)9-13/h5-8,13-15H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyVRYFQIUZQLVEBZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.39
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 5203806) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID5203806
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C19H25NO4/c1-2-23-17-7-5-16(6-8-17)20-18(21)12-24-19(22)11-15-10-13-3-4-14(15)9-13/h5-8,13-15H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyVRYFQIUZQLVEBZ-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 5203806) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is CCOc1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is VRYFQIUZQLVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-2-23-17-7-5-16(6-8-17)20-18(21)12-24-19(22)11-15-10-13-3-4-14(15)9-13/h5-8,13-15H,2-4,9-12H2,1H3,(H,20,21).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 331.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 5203806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).