4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

C16H18N2O3 — CID 7931363

IUPAC4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1C
InChIInChI=1S/C16H18N2O3/c1-10-8-14(11(2)18(10)3)15(19)9-21-13-6-4-12(5-7-13)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20)
InChIKeyPPSOAJZKNSNDRF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide

4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (PubChem CID 7931363) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
PubChem CID7931363
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1C
InChIInChI=1S/C16H18N2O3/c1-10-8-14(11(2)18(10)3)15(19)9-21-13-6-4-12(5-7-13)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20)
InChIKeyPPSOAJZKNSNDRF-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide (CID 7931363) is 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1C.
What is the InChIKey of 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
The InChIKey is PPSOAJZKNSNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-14(11(2)18(10)3)15(19)9-21-13-6-4-12(5-7-13)16(17)20/h4-8H,9H2,1-3H3,(H2,17,20).
What are the key properties of 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide?
4-[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 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide is sourced from PubChem (CID 7931363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).