N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H18N2O4 — CID 17414264

IUPACN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1=COCCO1
InChIInChI=1S/C15H18N2O4/c18-15(14-11-20-9-10-21-14)16-12-3-1-2-4-13(12)17-5-7-19-8-6-17/h1-4,11H,5-10H2,(H,16,18)
InChIKeyMJEDVAYPFDYQOV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.35
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17414264) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17414264
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1=COCCO1
InChIInChI=1S/C15H18N2O4/c18-15(14-11-20-9-10-21-14)16-12-3-1-2-4-13(12)17-5-7-19-8-6-17/h1-4,11H,5-10H2,(H,16,18)
InChIKeyMJEDVAYPFDYQOV-UHFFFAOYSA-N
XLogP1.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17414264) is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1=COCCO1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is MJEDVAYPFDYQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-15(14-11-20-9-10-21-14)16-12-3-1-2-4-13(12)17-5-7-19-8-6-17/h1-4,11H,5-10H2,(H,16,18).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17414264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).