N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O5 — CID 46557865

IUPACN-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C22H26N2O5/c1-4-28-18-9-10-20(29-5-2)19(13-18)23-22(26)15-11-21(25)24(14-15)16-7-6-8-17(12-16)27-3/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,23,26)
InChIKeyMHRNXESFTUBXLJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.48
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46557865) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46557865
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C22H26N2O5/c1-4-28-18-9-10-20(29-5-2)19(13-18)23-22(26)15-11-21(25)24(14-15)16-7-6-8-17(12-16)27-3/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,23,26)
InChIKeyMHRNXESFTUBXLJ-UHFFFAOYSA-N
XLogP3.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
1-(4-ethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46400008
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220419

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46557865) is N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHRNXESFTUBXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-28-18-9-10-20(29-5-2)19(13-18)23-22(26)15-11-21(25)24(14-15)16-7-6-8-17(12-16)27-3/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46557865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).