(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione

C19H26N2O3 — CID 7448639

IUPAC(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-3-24-15-10-8-14(9-11-15)21-18(22)12-17(19(21)23)20-16-7-5-4-6-13(16)2/h8-11,13,16-17,20H,3-7,12H2,1-2H3/t13-,16-,17+/m1/s1
InChIKeyLEFMFIUYTZNGGI-XYPHTWIQSA-N
MW330.43 g/mol
LogP2.89
Rot. Bonds5

About (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione

(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione (PubChem CID 7448639) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
PubChem CID7448639
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-3-24-15-10-8-14(9-11-15)21-18(22)12-17(19(21)23)20-16-7-5-4-6-13(16)2/h8-11,13,16-17,20H,3-7,12H2,1-2H3/t13-,16-,17+/m1/s1
InChIKeyLEFMFIUYTZNGGI-XYPHTWIQSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]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

(3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 11895663
3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
(3R)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 11902520
N-[4-[3-[(2-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 4198260
(3R)-1-(4-ethoxyphenyl)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
CID 755852
(3S)-1-(4-ethoxyphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 7340732
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3S)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1230280
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 843067
(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
CID 124775786

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione (CID 7448639) is (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione?
The InChIKey is LEFMFIUYTZNGGI-XYPHTWIQSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-24-15-10-8-14(9-11-15)21-18(22)12-17(19(21)23)20-16-7-5-4-6-13(16)2/h8-11,13,16-17,20H,3-7,12H2,1-2H3/t13-,16-,17+/m1/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione?
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 7448639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).