3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione

C50H75N3O4 — CID 123549277

IUPAC3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCCC(C)(CC)c1c(CC(C)(c2ccccc2)C2(C)C(=O)N(C)C(=O)C2CC(C)(c2ccccc2)C(C)(CC)CC)c(O)n(C2CC(C)(C)N(C)C(C)(C)C2)c1O
InChIInChI=1S/C50H75N3O4/c1-16-46(9,17-2)39-37(40(54)53(42(39)56)36-30-44(5,6)52(15)45(7,8)31-36)32-49(12,35-28-24-21-25-29-35)50(13)38(41(55)51(14)43(50)57)33-48(11,47(10,18-3)19-4)34-26-22-20-23-27-34/h20-29,36,38,54,56H,16-19,30-33H2,1-15H3
InChIKeyMJMRWWIJSPHEKS-UHFFFAOYSA-N
MW782.17 g/mol
LogP11.10
Rot. Bonds14

About 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione

3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione (PubChem CID 123549277) has the molecular formula C50H75N3O4 and a molecular weight of 782.17 g/mol. Its IUPAC name is 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione
PubChem CID123549277
Molecular FormulaC50H75N3O4
Molecular Weight782.17 g/mol
Exact Mass781.58
IUPAC Name3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione
SMILESCCC(C)(CC)c1c(CC(C)(c2ccccc2)C2(C)C(=O)N(C)C(=O)C2CC(C)(c2ccccc2)C(C)(CC)CC)c(O)n(C2CC(C)(C)N(C)C(C)(C)C2)c1O
InChIInChI=1S/C50H75N3O4/c1-16-46(9,17-2)39-37(40(54)53(42(39)56)36-30-44(5,6)52(15)45(7,8)31-36)32-49(12,35-28-24-21-25-29-35)50(13)38(41(55)51(14)43(50)57)33-48(11,47(10,18-3)19-4)34-26-22-20-23-27-34/h20-29,36,38,54,56H,16-19,30-33H2,1-15H3
InChIKeyMJMRWWIJSPHEKS-UHFFFAOYSA-N
XLogP11.10
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.17
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-Tert-butyl-1-(4-ethylphenyl)-2,5-dihydroxypyrrol-3-yl]-3,3-dimethylbutyl]pyrrolidin-2-one
CID 90780543
1-[1-(4-Tert-butyl-2,5-dihydroxy-1-phenylpyrrol-3-yl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 90930885
2-[[3-[(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)methyl]phenyl]methyl]-3a,4,7,7a-tetrahydro-3H-isoindol-1-one
CID 123207104

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione (CID 123549277) is 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione is CCC(C)(CC)c1c(CC(C)(c2ccccc2)C2(C)C(=O)N(C)C(=O)C2CC(C)(c2ccccc2)C(C)(CC)CC)c(O)n(C2CC(C)(C)N(C)C(C)(C)C2)c1O.
What is the InChIKey of 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is MJMRWWIJSPHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H75N3O4/c1-16-46(9,17-2)39-37(40(54)53(42(39)56)36-30-44(5,6)52(15)45(7,8)31-36)32-49(12,35-28-24-21-25-29-35)50(13)38(41(55)51(14)43(50)57)33-48(11,47(10,18-3)19-4)34-26-22-20-23-27-34/h20-29,36,38,54,56H,16-19,30-33H2,1-15H3.
What are the key properties of 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione?
3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 782.17 g/mol, XLogP of 11.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2,5-dihydroxy-4-(3-methylpentan-3-yl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrol-3-yl]-2-phenylpropan-2-yl]-4-(3-ethyl-2,3-dimethyl-2-phenylpentyl)-1,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 123549277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).