methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate

C20H20N2O5 — CID 7686676

IUPACmethyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-26-17-12-13(9-10-16(17)22-11-5-8-18(22)23)21-19(24)14-6-3-4-7-15(14)20(25)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)
InChIKeyUJMAGCQLZTWXTE-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.86
Rot. Bonds5

About methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate

methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate (PubChem CID 7686676) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
PubChem CID7686676
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-26-17-12-13(9-10-16(17)22-11-5-8-18(22)23)21-19(24)14-6-3-4-7-15(14)20(25)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)
InChIKeyUJMAGCQLZTWXTE-UHFFFAOYSA-N
XLogP2.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
5-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 29325483
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate (CID 7686676) is methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1.
What is the InChIKey of methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The InChIKey is UJMAGCQLZTWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-17-12-13(9-10-16(17)22-11-5-8-18(22)23)21-19(24)14-6-3-4-7-15(14)20(25)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 7686676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).