2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

C16H22N2O2 — CID 110736726

IUPAC2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-14(9-16(18)20)17-15(19)8-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)
InChIKeyLPBCMWDLKPXHNH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 110736726) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID110736726
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-14(9-16(18)20)17-15(19)8-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)
InChIKeyLPBCMWDLKPXHNH-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 110736726) is 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is Cc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is LPBCMWDLKPXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-10-14(9-16(18)20)17-15(19)8-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110736726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).