ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate

C18H22N2O5 — CID 113191614

IUPACethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CC(C(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-18(23)14-5-3-4-6-15(14)20-12-13(11-16(20)21)17(22)19-7-9-24-10-8-19/h3-6,13H,2,7-12H2,1H3
InChIKeyUWOABBJVCXYNMS-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate

ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113191614) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113191614
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CC(C(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-18(23)14-5-3-4-6-15(14)20-12-13(11-16(20)21)17(22)19-7-9-24-10-8-19/h3-6,13H,2,7-12H2,1H3
InChIKeyUWOABBJVCXYNMS-UHFFFAOYSA-N
XLogP1.08
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate
CID 113189120
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190755
ethyl 1-[(3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9350886
ethyl 1-[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 17080683
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate (CID 113191614) is ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CC(C(=O)N2CCOCC2)CC1=O.
What is the InChIKey of ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is UWOABBJVCXYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-25-18(23)14-5-3-4-6-15(14)20-12-13(11-16(20)21)17(22)19-7-9-24-10-8-19/h3-6,13H,2,7-12H2,1H3.
What are the key properties of ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 346.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).