dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate

C18H22N2O7 — CID 108793757

IUPACdimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOCCN1CC(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O
InChIInChI=1S/C18H22N2O7/c1-25-7-6-20-10-12(9-15(20)21)16(22)19-14-8-11(17(23)26-2)4-5-13(14)18(24)27-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyDRTSKZRBVDXYTO-UHFFFAOYSA-N
MW378.38 g/mol
LogP0.69
Rot. Bonds7

About dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 108793757) has the molecular formula C18H22N2O7 and a molecular weight of 378.38 g/mol. Its IUPAC name is dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID108793757
Molecular FormulaC18H22N2O7
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Namedimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOCCN1CC(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O
InChIInChI=1S/C18H22N2O7/c1-25-7-6-20-10-12(9-15(20)21)16(22)19-14-8-11(17(23)26-2)4-5-13(14)18(24)27-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyDRTSKZRBVDXYTO-UHFFFAOYSA-N
XLogP0.69
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 9364852
dimethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 6493190
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
methyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxybenzoate
CID 108800381
methyl 4-methyl-3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 55605186
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108741159
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604485
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate (CID 108793757) is dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate is COCCN1CC(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1=O.
What is the InChIKey of dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is DRTSKZRBVDXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7/c1-25-7-6-20-10-12(9-15(20)21)16(22)19-14-8-11(17(23)26-2)4-5-13(14)18(24)27-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,19,22).
What are the key properties of dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 378.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108793757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).