3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C20H22N2O4 — CID 8588467

IUPAC3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-10-7-15(12-18(17)26-2)20(24)21-13-14-5-8-16(9-6-14)22-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)
InChIKeyNKRWXDQMCTYKNU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.76
Rot. Bonds6

About 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 8588467) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID8588467
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-10-7-15(12-18(17)26-2)20(24)21-13-14-5-8-16(9-6-14)22-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)
InChIKeyNKRWXDQMCTYKNU-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111201809
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20888209
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441673
2-methoxy-5-[[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzoic acid
CID 45384959
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 8588467) is 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is NKRWXDQMCTYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-10-7-15(12-18(17)26-2)20(24)21-13-14-5-8-16(9-6-14)22-11-3-4-19(22)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 8588467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).