[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C18H17NO6 — CID 2580303

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17NO6/c1-22-14-5-3-2-4-13(14)19-17(20)11-25-18(21)12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyCMZDUVRPUWSELR-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.26
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 2580303) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
PubChem CID2580303
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17NO6/c1-22-14-5-3-2-4-13(14)19-17(20)11-25-18(21)12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyCMZDUVRPUWSELR-UHFFFAOYSA-N
XLogP2.26
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 2580303) is [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The InChIKey is CMZDUVRPUWSELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-22-14-5-3-2-4-13(14)19-17(20)11-25-18(21)12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10H,8-9,11H2,1H3,(H,19,20).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 2580303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).