(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione

C19H20N2O4 — CID 51613691

IUPAC(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H20N2O4/c1-24-16-9-8-14(10-17(16)25-2)20-15-11-18(22)21(19(15)23)12-13-6-4-3-5-7-13/h3-10,15,20H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyNMFHOLCAJOXIDT-OAHLLOKOSA-N
MW340.38 g/mol
LogP2.44
Rot. Bonds6

About (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione

(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione (PubChem CID 51613691) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
PubChem CID51613691
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H20N2O4/c1-24-16-9-8-14(10-17(16)25-2)20-15-11-18(22)21(19(15)23)12-13-6-4-3-5-7-13/h3-10,15,20H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyNMFHOLCAJOXIDT-OAHLLOKOSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-benzyl-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 25345840
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
2-[4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 2085445
N-[2-chloro-4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 41391246
N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 4855014
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione (CID 51613691) is (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione is COc1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC.
What is the InChIKey of (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is NMFHOLCAJOXIDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-16-9-8-14(10-17(16)25-2)20-15-11-18(22)21(19(15)23)12-13-6-4-3-5-7-13/h3-10,15,20H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51613691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).