N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O4 — CID 108785661

IUPACN-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-3-4-13-28-20-9-5-17(6-10-20)23-22(26)16-14-21(25)24(15-16)18-7-11-19(27-2)12-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyIOTODZNUYTZDJZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.87
Rot. Bonds8

About N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108785661) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108785661
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-3-4-13-28-20-9-5-17(6-10-20)23-22(26)16-14-21(25)24(15-16)18-7-11-19(27-2)12-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyIOTODZNUYTZDJZ-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
butyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004965
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3S)-N-(4-butoxyphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529153
(3S)-N-(4-butoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529015
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 108785661) is N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IOTODZNUYTZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-4-13-28-20-9-5-17(6-10-20)23-22(26)16-14-21(25)24(15-16)18-7-11-19(27-2)12-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108785661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).