N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H33N3O5 — CID 4820653

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C26H33N3O5/c1-4-33-23-16-22(28-10-12-32-13-11-28)24(34-5-2)15-21(23)27-26(31)19-14-25(30)29(17-19)20-8-6-18(3)7-9-20/h6-9,15-16,19H,4-5,10-14,17H2,1-3H3,(H,27,31)
InChIKeyTYIQVVMBVQBOGK-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.62
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4820653) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4820653
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C26H33N3O5/c1-4-33-23-16-22(28-10-12-32-13-11-28)24(34-5-2)15-21(23)27-26(31)19-14-25(30)29(17-19)20-8-6-18(3)7-9-20/h6-9,15-16,19H,4-5,10-14,17H2,1-3H3,(H,27,31)
InChIKeyTYIQVVMBVQBOGK-UHFFFAOYSA-N
XLogP3.62
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41307340
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41030803
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
(3R)-1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006945
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(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
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
(3S)-N-(2-bromo-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1305786
1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 4820653) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TYIQVVMBVQBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-4-33-23-16-22(28-10-12-32-13-11-28)24(34-5-2)15-21(23)27-26(31)19-14-25(30)29(17-19)20-8-6-18(3)7-9-20/h6-9,15-16,19H,4-5,10-14,17H2,1-3H3,(H,27,31).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4820653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).