N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C21H24N2O4 — CID 3154399

IUPACN-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-3-12-27-17-10-8-16(9-11-17)23-14-15(13-20(23)24)21(25)22-18-6-4-5-7-19(18)26-2/h4-11,15H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyQWMPSOIOFYWINE-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.48
Rot. Bonds7

About N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 3154399) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID3154399
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-3-12-27-17-10-8-16(9-11-17)23-14-15(13-20(23)24)21(25)22-18-6-4-5-7-19(18)26-2/h4-11,15H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyQWMPSOIOFYWINE-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 3154399) is N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QWMPSOIOFYWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-12-27-17-10-8-16(9-11-17)23-14-15(13-20(23)24)21(25)22-18-6-4-5-7-19(18)26-2/h4-11,15H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3154399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).