2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

C20H23NO4 — CID 2524561

IUPAC2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C20H23NO4/c1-12-9-17(13(2)21(12)16-6-7-16)18(23)11-25-19-8-5-15(14(3)22)10-20(19)24-4/h5,8-10,16H,6-7,11H2,1-4H3
InChIKeyGZLFSVRFNIJACX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.91
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 2524561) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID2524561
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C20H23NO4/c1-12-9-17(13(2)21(12)16-6-7-16)18(23)11-25-19-8-5-15(14(3)22)10-20(19)24-4/h5,8-10,16H,6-7,11H2,1-4H3
InChIKeyGZLFSVRFNIJACX-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-Acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 908388
Ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
1-[1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone
CID 1150667
[2-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2398662
2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
CID 2525555
Ethyl 1-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 4549814
CB2 Inhibitor, 4
CID 7599208
ethyl 1-(2,3-dimethoxybenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 658742
diethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
CID 1418715
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 2128817
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
2-chloro-1-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
CID 2526884

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 2524561) is 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is GZLFSVRFNIJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12-9-17(13(2)21(12)16-6-7-16)18(23)11-25-19-8-5-15(14(3)22)10-20(19)24-4/h5,8-10,16H,6-7,11H2,1-4H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 341.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 2524561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).