2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C20H22N2O4 — CID 40876673

IUPAC2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(N2C[C@H](CNC(=O)c3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-9-7-15(8-10-16)22-13-14(11-19(22)23)12-21-20(24)17-5-3-4-6-18(17)26-2/h3-10,14H,11-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCITJYVZMJKIAEA-AWEZNQCLSA-N
MW354.41 g/mol
LogP2.49
Rot. Bonds6

About 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 40876673) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID40876673
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccc(N2C[C@H](CNC(=O)c3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-9-7-15(8-10-16)22-13-14(11-19(22)23)12-21-20(24)17-5-3-4-6-18(17)26-2/h3-10,14H,11-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCITJYVZMJKIAEA-AWEZNQCLSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
CID 16918481
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methyl-3-nitrobenzamide
CID 16918402
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985
4-butoxy-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918373
1-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenylethyl)urea
CID 40912903
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16918345
2-chloro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918405
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 40876673) is 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is COc1ccc(N2C[C@H](CNC(=O)c3ccccc3OC)CC2=O)cc1.
What is the InChIKey of 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is CITJYVZMJKIAEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-16-9-7-15(8-10-16)22-13-14(11-19(22)23)12-21-20(24)17-5-3-4-6-18(17)26-2/h3-10,14H,11-13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 40876673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).