[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate

C21H22N2O5 — CID 16918481

IUPAC[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(N2CC(CNC(=O)c3ccccc3OC(C)=O)CC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-14(24)28-19-6-4-3-5-18(19)21(26)22-12-15-11-20(25)23(13-15)16-7-9-17(27-2)10-8-16/h3-10,15H,11-13H2,1-2H3,(H,22,26)
InChIKeyBJGSWMFOTFCRRI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.40
Rot. Bonds6

About [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate

[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate (PubChem CID 16918481) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
PubChem CID16918481
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(N2CC(CNC(=O)c3ccccc3OC(C)=O)CC2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-14(24)28-19-6-4-3-5-18(19)21(26)22-12-15-11-20(25)23(13-15)16-7-9-17(27-2)10-8-16/h3-10,15H,11-13H2,1-2H3,(H,22,26)
InChIKeyBJGSWMFOTFCRRI-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methyl-3-nitrobenzamide
CID 16918402
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
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
1-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenylethyl)urea
CID 40912903
4-butoxy-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918373
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
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16920004

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate (CID 16918481) is [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate is COc1ccc(N2CC(CNC(=O)c3ccccc3OC(C)=O)CC2=O)cc1.
What is the InChIKey of [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate?
The InChIKey is BJGSWMFOTFCRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14(24)28-19-6-4-3-5-18(19)21(26)22-12-15-11-20(25)23(13-15)16-7-9-17(27-2)10-8-16/h3-10,15H,11-13H2,1-2H3,(H,22,26).
What are the key properties of [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate?
[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate has a molecular weight of 382.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 16918481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).