N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 647475

IUPACN-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-7-14(8-6-12)17-16(20)13-9-15(19)18(10-13)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyFSJBYNWTUIXJKS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds4

About N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 647475) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID647475
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-7-14(8-6-12)17-16(20)13-9-15(19)18(10-13)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyFSJBYNWTUIXJKS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 647475) is N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FSJBYNWTUIXJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12-5-7-14(8-6-12)17-16(20)13-9-15(19)18(10-13)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).