(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione

C24H27FN2O4 — CID 51645848

IUPAC(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C[C@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cc1OC
InChIInChI=1S/C24H27FN2O4/c1-30-21-10-5-16(13-22(21)31-2)11-12-26-23(28)14-20(24(26)29)27(19-8-9-19)15-17-3-6-18(25)7-4-17/h3-7,10,13,19-20H,8-9,11-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyXHHZTGWQAJAIKL-FQEVSTJZSA-N
MW426.49 g/mol
LogP3.18
Rot. Bonds9

About (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione

(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 51645848) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID51645848
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C[C@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cc1OC
InChIInChI=1S/C24H27FN2O4/c1-30-21-10-5-16(13-22(21)31-2)11-12-26-23(28)14-20(24(26)29)27(19-8-9-19)15-17-3-6-18(25)7-4-17/h3-7,10,13,19-20H,8-9,11-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyXHHZTGWQAJAIKL-FQEVSTJZSA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]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

(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2254425
(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2263610
(3S)-3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 1119989
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1119999
2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4660391
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 5084350
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001
(2S,6S,8R,12R)-4,10-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 92531936
1-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-3a,6-dihydro-3H-indole-2,5-dione
CID 101465772
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 7987485
2-[4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 2085445

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione (CID 51645848) is (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione is COc1ccc(CCN2C(=O)C[C@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cc1OC.
What is the InChIKey of (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is XHHZTGWQAJAIKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-30-21-10-5-16(13-22(21)31-2)11-12-26-23(28)14-20(24(26)29)27(19-8-9-19)15-17-3-6-18(25)7-4-17/h3-7,10,13,19-20H,8-9,11-12,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione?
(3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 426.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 51645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).