5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide

C12H13N3O4 — CID 165482135

IUPAC5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)cc(N2CCOCC2=O)c1
InChIInChI=1S/C12H13N3O4/c13-11(17)7-3-8(12(14)18)5-9(4-7)15-1-2-19-6-10(15)16/h3-5H,1-2,6H2,(H2,13,17)(H2,14,18)
InChIKeyXCJULKFWUJLNLS-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.75
Rot. Bonds3

About 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide

5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide (PubChem CID 165482135) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
PubChem CID165482135
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)cc(N2CCOCC2=O)c1
InChIInChI=1S/C12H13N3O4/c13-11(17)7-3-8(12(14)18)5-9(4-7)15-1-2-19-6-10(15)16/h3-5H,1-2,6H2,(H2,13,17)(H2,14,18)
InChIKeyXCJULKFWUJLNLS-UHFFFAOYSA-N
XLogP-0.75
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
CID 91756600
2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
4-(3-oxomorpholin-4-yl)benzoyl azide
CID 72950117
2-chloro-6-(3-oxomorpholin-4-yl)benzamide
CID 165482514

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide (CID 165482135) is 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide is NC(=O)c1cc(C(N)=O)cc(N2CCOCC2=O)c1.
What is the InChIKey of 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide?
The InChIKey is XCJULKFWUJLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-11(17)7-3-8(12(14)18)5-9(4-7)15-1-2-19-6-10(15)16/h3-5H,1-2,6H2,(H2,13,17)(H2,14,18).
What are the key properties of 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide?
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide has a molecular weight of 263.25 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 165482135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).