(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate

C19H22N2O6 — CID 46819386

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6/c1-13(18(24)20-8-10-26-11-9-20)27-19(25)15-4-2-14(3-5-15)12-21-16(22)6-7-17(21)23/h2-5,13H,6-12H2,1H3
InChIKeyUXQARDGMVNQGGS-UHFFFAOYSA-N
MW374.39 g/mol
LogP0.74
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 46819386) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
PubChem CID46819386
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6/c1-13(18(24)20-8-10-26-11-9-20)27-19(25)15-4-2-14(3-5-15)12-21-16(22)6-7-17(21)23/h2-5,13H,6-12H2,1H3
InChIKeyUXQARDGMVNQGGS-UHFFFAOYSA-N
XLogP0.74
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 50.74
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

(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426814
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55379698
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
(1-morpholin-4-yl-1-oxopropan-2-yl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510691
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 16513169
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16506175
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
CID 55326204
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738693
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528598
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
(2-amino-2-oxoethyl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 32939173

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate (CID 46819386) is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate is CC(OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is UXQARDGMVNQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-13(18(24)20-8-10-26-11-9-20)27-19(25)15-4-2-14(3-5-15)12-21-16(22)6-7-17(21)23/h2-5,13H,6-12H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 374.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 46819386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).