4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione

C19H26N2O3 — CID 171536722

IUPAC4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)C1OC1CCC(N)CC1
InChIInChI=1S/C19H26N2O3/c1-19(2)16(24-15-10-8-14(20)9-11-15)17(22)21(18(19)23)12-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3
InChIKeyJXNGESSVFPWMOD-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds4

About 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione

4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 171536722) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID171536722
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)C1OC1CCC(N)CC1
InChIInChI=1S/C19H26N2O3/c1-19(2)16(24-15-10-8-14(20)9-11-15)17(22)21(18(19)23)12-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3
InChIKeyJXNGESSVFPWMOD-UHFFFAOYSA-N
XLogP2.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-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

(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
(1R,2S,6S,7R)-4-benzyl-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308446
1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
CID 10742140
6-benzyl-4a-methyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 70812884
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
1-benzyl-3,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 71490768
(3aR,4R,7S,7aR)-2-benzyl-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 124910195
3-benzyl-6-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82380265
(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129188
(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135011947

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione (CID 171536722) is 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)C(=O)N(Cc2ccccc2)C(=O)C1OC1CCC(N)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is JXNGESSVFPWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)16(24-15-10-8-14(20)9-11-15)17(22)21(18(19)23)12-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3.
What are the key properties of 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione?
4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 171536722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).