(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione

C25H32N2O3 — CID 98245443

IUPAC(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@](CC(=O)N2CC3C[C@H]4CC2C[C@H](C3)C4)(c2ccccc2C)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-26-22(28)13-25(24(26)30,21-7-5-4-6-16(21)2)14-23(29)27-15-19-9-17-8-18(10-19)12-20(27)11-17/h4-7,17-20H,3,8-15H2,1-2H3/t17-,18-,19?,20?,25-/m0/s1
InChIKeyUMEVMFDWEAZAMJ-YDEBIYCMSA-N
MW408.54 g/mol
LogP3.44
Rot. Bonds4

About (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione

(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 98245443) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID98245443
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@](CC(=O)N2CC3C[C@H]4CC2C[C@H](C3)C4)(c2ccccc2C)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-26-22(28)13-25(24(26)30,21-7-5-4-6-16(21)2)14-23(29)27-15-19-9-17-8-18(10-19)12-20(27)11-17/h4-7,17-20H,3,8-15H2,1-2H3/t17-,18-,19?,20?,25-/m0/s1
InChIKeyUMEVMFDWEAZAMJ-YDEBIYCMSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-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

2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
3-[2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45223495
(3R)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248146
(3S)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248144
N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 126462106
1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45165812
N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 45169609
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45182791
(3S)-3-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-ethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42210715
(3S)-3-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98260751
(3R)-3-[2-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98347590
(3R)-3-[2-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98590702

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione (CID 98245443) is (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione is CCN1C(=O)C[C@](CC(=O)N2CC3C[C@H]4CC2C[C@H](C3)C4)(c2ccccc2C)C1=O.
What is the InChIKey of (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is UMEVMFDWEAZAMJ-YDEBIYCMSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-26-22(28)13-25(24(26)30,21-7-5-4-6-16(21)2)14-23(29)27-15-19-9-17-8-18(10-19)12-20(27)11-17/h4-7,17-20H,3,8-15H2,1-2H3/t17-,18-,19?,20?,25-/m0/s1.
What are the key properties of (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione?
(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 408.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98245443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).