N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide

C26H26N4O6 — CID 11191037

IUPACN,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1=O)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C26H26N4O6/c31-21-11-19(25(35)29(21)15-17-7-3-1-4-8-17)13-27-23(33)24(34)28-14-20-12-22(32)30(26(20)36)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,27,33)(H,28,34)
InChIKeyHNZQUHXEOLBTHK-UHFFFAOYSA-N
MW490.52 g/mol
LogP0.37
Rot. Bonds8

About N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide

N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide (PubChem CID 11191037) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
PubChem CID11191037
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC NameN,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1=O)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C26H26N4O6/c31-21-11-19(25(35)29(21)15-17-7-3-1-4-8-17)13-27-23(33)24(34)28-14-20-12-22(32)30(26(20)36)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,27,33)(H,28,34)
InChIKeyHNZQUHXEOLBTHK-UHFFFAOYSA-N
XLogP0.37
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide 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)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 22292880
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
5-benzyl-1,2,3,3a,7,7a-hexahydropyrrolo[3,4-c]pyridine-4,6-dione
CID 19691399
(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
CID 7343763
4-O-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122482294
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
CID 86231924
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide?
The IUPAC name of N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide (CID 11191037) is N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide.
What is the SMILES notation for N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide?
The canonical SMILES for N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide is O=C(NCC1CC(=O)N(Cc2ccccc2)C1=O)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide?
The InChIKey is HNZQUHXEOLBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c31-21-11-19(25(35)29(21)15-17-7-3-1-4-8-17)13-27-23(33)24(34)28-14-20-12-22(32)30(26(20)36)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,27,33)(H,28,34).
What are the key properties of N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide?
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide has a molecular weight of 490.52 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide is sourced from PubChem (CID 11191037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).