N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide

C13H16N2O5 — CID 110696823

IUPACN-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C13H16N2O5/c1-18-8-3-4-11(19-2)9(5-8)15-13(17)10-6-20-7-12(16)14-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHMFHMGUHGPAXSC-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.16
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide

N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 110696823) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
PubChem CID110696823
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C13H16N2O5/c1-18-8-3-4-11(19-2)9(5-8)15-13(17)10-6-20-7-12(16)14-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHMFHMGUHGPAXSC-UHFFFAOYSA-N
XLogP0.16
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696884
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
CID 110696837
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2,5-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2969500
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide (CID 110696823) is N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2COCC(=O)N2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is HMFHMGUHGPAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-18-8-3-4-11(19-2)9(5-8)15-13(17)10-6-20-7-12(16)14-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).