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

C16H22N2O3 — CID 655329

IUPACN-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)17-16(20)12-9-15(19)18(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyKMZCWLSIYWKCRX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.28
Rot. Bonds5

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

N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 655329) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID655329
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)17-16(20)12-9-15(19)18(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyKMZCWLSIYWKCRX-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 655329) is N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KMZCWLSIYWKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)17-16(20)12-9-15(19)18(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 655329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).