2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H22N2O3 — CID 3240866

IUPAC2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O3/c1-14-6-2-3-8-16(14)19(23)17-9-4-10-21(17)13-18(22)20-12-15-7-5-11-24-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,20,22)
InChIKeyOJLFVHMIDPWDAD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3240866) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3240866
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O3/c1-14-6-2-3-8-16(14)19(23)17-9-4-10-21(17)13-18(22)20-12-15-7-5-11-24-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,20,22)
InChIKeyOJLFVHMIDPWDAD-UHFFFAOYSA-N
XLogP2.32
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 3240866) is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OJLFVHMIDPWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-6-2-3-8-16(14)19(23)17-9-4-10-21(17)13-18(22)20-12-15-7-5-11-24-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,20,22).
What are the key properties of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3240866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).