3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide

C20H20N2O5 — CID 175412482

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H20N2O5/c1-12-15-17(24)16(23)13-4-2-3-5-14(13)19(15)27-18(12)20(25)21-6-7-22-8-10-26-11-9-22/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyUYBPSMWBDHAEAL-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide (PubChem CID 175412482) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
PubChem CID175412482
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H20N2O5/c1-12-15-17(24)16(23)13-4-2-3-5-14(13)19(15)27-18(12)20(25)21-6-7-22-8-10-26-11-9-22/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyUYBPSMWBDHAEAL-UHFFFAOYSA-N
XLogP1.70
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 1179676
N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
CID 71828610
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
1-methoxy-N-(2-morpholin-4-ylethyl)-5,10-dioxo-1H-benzo[g]isochromene-3-carboxamide
CID 57117723
(4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19162944
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 6459529
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
(4E)-4-[(2-bromobenzoyl)hydrazinylidene]-3-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide (CID 175412482) is 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is UYBPSMWBDHAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-15-17(24)16(23)13-4-2-3-5-14(13)19(15)27-18(12)20(25)21-6-7-22-8-10-26-11-9-22/h2-5H,6-11H2,1H3,(H,21,25).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 175412482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).