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

C15H18N2O5 — CID 18112349

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1
InChIInChI=1S/C15H18N2O5/c1-17(15(19)13-10-21-7-8-22-13)9-14(18)16-11-3-5-12(20-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18)
InChIKeyQXLKMEHSGVPUKY-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.98
Rot. Bonds5

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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18112349) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18112349
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1
InChIInChI=1S/C15H18N2O5/c1-17(15(19)13-10-21-7-8-22-13)9-14(18)16-11-3-5-12(20-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18)
InChIKeyQXLKMEHSGVPUKY-UHFFFAOYSA-N
XLogP0.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18112349) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QXLKMEHSGVPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-17(15(19)13-10-21-7-8-22-13)9-14(18)16-11-3-5-12(20-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18112349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).