N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C17H24N2O3 — CID 3244684

IUPACN-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C17H24N2O3/c1-4-22-15-8-6-5-7-13(15)11-18-17(21)14-9-10-16(20)19(14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyGXHWJQKHWVCBEJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.10
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3244684) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3244684
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C17H24N2O3/c1-4-22-15-8-6-5-7-13(15)11-18-17(21)14-9-10-16(20)19(14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyGXHWJQKHWVCBEJ-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 3244684) is N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GXHWJQKHWVCBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-22-15-8-6-5-7-13(15)11-18-17(21)14-9-10-16(20)19(14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3244684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).