N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 652475

IUPACN-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-14(18)19)16(20)17-15-11(3)6-5-7-12(15)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyGOFRWPCJRLNSKU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 652475) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID652475
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-14(18)19)16(20)17-15-11(3)6-5-7-12(15)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyGOFRWPCJRLNSKU-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 652475) is N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GOFRWPCJRLNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-14(18)19)16(20)17-15-11(3)6-5-7-12(15)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 652475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).