N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide

C27H33N3O4 — CID 23888617

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C27H33N3O4/c1-19(2)21-7-9-23(10-8-21)30-25(31)18-24(27(30)33)29(12-11-28-13-15-34-16-14-28)26(32)22-6-4-5-20(3)17-22/h4-10,17,19,24H,11-16,18H2,1-3H3
InChIKeyGOXZKAGDCHRUEU-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.22
Rot. Bonds7

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 23888617) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID23888617
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C27H33N3O4/c1-19(2)21-7-9-23(10-8-21)30-25(31)18-24(27(30)33)29(12-11-28-13-15-34-16-14-28)26(32)22-6-4-5-20(3)17-22/h4-10,17,19,24H,11-16,18H2,1-3H3
InChIKeyGOXZKAGDCHRUEU-UHFFFAOYSA-N
XLogP3.22
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 23860640
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 23830645
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23860685
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23944470
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23745386
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 23998908
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23888503
ethyl 4-[3-[(3-methylbenzoyl)-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23944573
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25036525
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
CID 23972622
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25037176

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 23888617) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1cccc(C(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is GOXZKAGDCHRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-19(2)21-7-9-23(10-8-21)30-25(31)18-24(27(30)33)29(12-11-28-13-15-34-16-14-28)26(32)22-6-4-5-20(3)17-22/h4-10,17,19,24H,11-16,18H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 23888617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).