(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate

C17H18N2O6 — CID 7204669

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H18N2O6/c20-14-4-5-15(21)19(14)13-3-1-2-12(10-13)17(23)25-11-16(22)18-6-8-24-9-7-18/h1-3,10H,4-9,11H2
InChIKeyPVCWEMGAHNWXQI-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.36
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate

(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204669) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204669
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H18N2O6/c20-14-4-5-15(21)19(14)13-3-1-2-12(10-13)17(23)25-11-16(22)18-6-8-24-9-7-18/h1-3,10H,4-9,11H2
InChIKeyPVCWEMGAHNWXQI-UHFFFAOYSA-N
XLogP0.36
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204672
(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
CID 2418496
[2-(methylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204522
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204781
(2-morpholin-4-yl-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836549
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204495
[2-(2-fluorophenyl)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204779
[(E)-3-phenylprop-2-enyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204640
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
[2-(benzylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204712
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808595
2-thiophen-2-ylethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 51096159

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204669) is (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate is O=C(OCC(=O)N1CCOCC1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is PVCWEMGAHNWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c20-14-4-5-15(21)19(14)13-3-1-2-12(10-13)17(23)25-11-16(22)18-6-8-24-9-7-18/h1-3,10H,4-9,11H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 346.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).