N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C18H24N2O6 — CID 24979481

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1OCC
InChIInChI=1S/C18H24N2O6/c1-4-24-14-7-6-13(10-15(14)25-5-2)19-17(21)11-20(3)18(22)16-12-23-8-9-26-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,21)
InChIKeyIEXCHODIYWICRD-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.77
Rot. Bonds8

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24979481) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24979481
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1OCC
InChIInChI=1S/C18H24N2O6/c1-4-24-14-7-6-13(10-15(14)25-5-2)19-17(21)11-20(3)18(22)16-12-23-8-9-26-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,21)
InChIKeyIEXCHODIYWICRD-UHFFFAOYSA-N
XLogP1.77
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24979481) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is IEXCHODIYWICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-4-24-14-7-6-13(10-15(14)25-5-2)19-17(21)11-20(3)18(22)16-12-23-8-9-26-16/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24979481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).