[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate

C18H21NO4 — CID 7599857

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C18H21NO4/c1-12-9-15(13(2)19(12)3)16(20)11-23-18(21)10-14-7-5-6-8-17(14)22-4/h5-9H,10-11H2,1-4H3
InChIKeyFZQJFEYGBGXOSA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.62
Rot. Bonds6

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 7599857) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
PubChem CID7599857
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C18H21NO4/c1-12-9-15(13(2)19(12)3)16(20)11-23-18(21)10-14-7-5-6-8-17(14)22-4/h5-9H,10-11H2,1-4H3
InChIKeyFZQJFEYGBGXOSA-UHFFFAOYSA-N
XLogP2.62
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913200
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7599844
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18076092
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846678
2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110656095
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128452
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7770902
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132631
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654320
[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796265

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate (CID 7599857) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OCC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is FZQJFEYGBGXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-9-15(13(2)19(12)3)16(20)11-23-18(21)10-14-7-5-6-8-17(14)22-4/h5-9H,10-11H2,1-4H3.
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 315.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 7599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).