methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C22H24N2O7 — CID 4799318

IUPACmethyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C22H24N2O7/c1-28-17-8-6-5-7-16(17)24-12-13(9-20(24)25)21(26)23-15-11-19(30-3)18(29-2)10-14(15)22(27)31-4/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26)
InChIKeyUNPQUFYTOJBONZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.49
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 4799318) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID4799318
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Namemethyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C22H24N2O7/c1-28-17-8-6-5-7-16(17)24-12-13(9-20(24)25)21(26)23-15-11-19(30-3)18(29-2)10-14(15)22(27)31-4/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26)
InChIKeyUNPQUFYTOJBONZ-UHFFFAOYSA-N
XLogP2.49
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26239605
N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119440714

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 4799318) is methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is UNPQUFYTOJBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-28-17-8-6-5-7-16(17)24-12-13(9-20(24)25)21(26)23-15-11-19(30-3)18(29-2)10-14(15)22(27)31-4/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,26).
What are the key properties of methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 428.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 4799318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).