2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

C16H18N2O3 — CID 2109651

IUPAC2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C
InChIInChI=1S/C16H18N2O3/c1-10-8-13(11(2)18(10)3)14(19)9-21-15-7-5-4-6-12(15)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20)
InChIKeyGOVBWAKAKWOEAZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (PubChem CID 2109651) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
PubChem CID2109651
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C
InChIInChI=1S/C16H18N2O3/c1-10-8-13(11(2)18(10)3)14(19)9-21-15-7-5-4-6-12(15)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20)
InChIKeyGOVBWAKAKWOEAZ-UHFFFAOYSA-N
XLogP2.00
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione
CID 4469805
2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
CID 2525555
3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester
CID 2475619
CB2 Inhibitor, 4
CID 7599208
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
[2-[2,5-Dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4235678
Ethyl 1-{2-[(3-acetylphenyl)carbamoyl]ethyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4565464
2-[2-[2,5-Dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 5006908
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 5061569
[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704908
[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-propanoylphenoxy)acetate
CID 9326342
N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide
CID 10690371

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (CID 2109651) is 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C.
What is the InChIKey of 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The InChIKey is GOVBWAKAKWOEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-13(11(2)18(10)3)14(19)9-21-15-7-5-4-6-12(15)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20).
What are the key properties of 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is sourced from PubChem (CID 2109651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).