(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione

C18H24N2O2 — CID 124775786

IUPAC(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@H]1[C@H](C)CCC[C@@H]1N[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-12-7-6-10-15(13(12)2)19-16-11-17(21)20(18(16)22)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,19H,6-7,10-11H2,1-2H3/t12-,13+,15+,16+/m1/s1
InChIKeyJUOJRKSGBSGLNG-VRKREXBASA-N
MW300.40 g/mol
LogP2.73
Rot. Bonds3

About (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione

(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 124775786) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
PubChem CID124775786
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@H]1[C@H](C)CCC[C@@H]1N[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-12-7-6-10-15(13(12)2)19-16-11-17(21)20(18(16)22)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,19H,6-7,10-11H2,1-2H3/t12-,13+,15+,16+/m1/s1
InChIKeyJUOJRKSGBSGLNG-VRKREXBASA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione with MolForge

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Related Compounds

3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
(3S)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1230280
(3R)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 11902520
N-[4-[(3S)-3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 100911156
(3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 11895663
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 107417757
N-[4-[3-[(2-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 4198260
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639
(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
CID 143987049
1-cyclopentyl-3-[(2,3-dimethylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 64907613
3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 3135056

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione (CID 124775786) is (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione is C[C@H]1[C@H](C)CCC[C@@H]1N[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is JUOJRKSGBSGLNG-VRKREXBASA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-7-6-10-15(13(12)2)19-16-11-17(21)20(18(16)22)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,19H,6-7,10-11H2,1-2H3/t12-,13+,15+,16+/m1/s1.
What are the key properties of (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione?
(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 124775786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).