(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide

C26H24N2O4 — CID 92991227

IUPAC(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cc2c(cc1N1CC[C@H](C(=O)N(C)Cc3ccccc3)C1=O)oc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-27(16-17-8-4-3-5-9-17)25(29)19-12-13-28(26(19)30)21-15-23-20(14-24(21)31-2)18-10-6-7-11-22(18)32-23/h3-11,14-15,19H,12-13,16H2,1-2H3/t19-/m1/s1
InChIKeySNALFGUQSQGBKU-LJQANCHMSA-N
MW428.49 g/mol
LogP4.61
Rot. Bonds5

About (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide

(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 92991227) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID92991227
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cc2c(cc1N1CC[C@H](C(=O)N(C)Cc3ccccc3)C1=O)oc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-27(16-17-8-4-3-5-9-17)25(29)19-12-13-28(26(19)30)21-15-23-20(14-24(21)31-2)18-10-6-7-11-22(18)32-23/h3-11,14-15,19H,12-13,16H2,1-2H3/t19-/m1/s1
InChIKeySNALFGUQSQGBKU-LJQANCHMSA-N
XLogP4.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide 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)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 86986993
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
CID 3948606
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864
methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 11874668
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide (CID 92991227) is (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide is COc1cc2c(cc1N1CC[C@H](C(=O)N(C)Cc3ccccc3)C1=O)oc1ccccc12.
What is the InChIKey of (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SNALFGUQSQGBKU-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-27(16-17-8-4-3-5-9-17)25(29)19-12-13-28(26(19)30)21-15-23-20(14-24(21)31-2)18-10-6-7-11-22(18)32-23/h3-11,14-15,19H,12-13,16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).