methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate

C26H24N4O6 — CID 55396903

IUPACmethyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C26H24N4O6/c1-26(19-10-7-16-5-3-4-6-18(16)13-19)24(34)30(25(35)29-26)15-21(31)28-20-11-8-17(9-12-20)23(33)27-14-22(32)36-2/h3-13H,14-15H2,1-2H3,(H,27,33)(H,28,31)(H,29,35)
InChIKeyKUUAZBNNYGHTRS-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.15
Rot. Bonds7

About methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate (PubChem CID 55396903) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
PubChem CID55396903
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Namemethyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C26H24N4O6/c1-26(19-10-7-16-5-3-4-6-18(16)13-19)24(34)30(25(35)29-26)15-21(31)28-20-11-8-17(9-12-20)23(33)27-14-22(32)36-2/h3-13H,14-15H2,1-2H3,(H,27,33)(H,28,31)(H,29,35)
InChIKeyKUUAZBNNYGHTRS-UHFFFAOYSA-N
XLogP2.15
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 98396447
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55602037
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2107483
2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
CID 24657513
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546410
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 55600305
butyl 4-[[2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 26058006
butyl 4-[[2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 3651067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate (CID 55396903) is methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is KUUAZBNNYGHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-26(19-10-7-16-5-3-4-6-18(16)13-19)24(34)30(25(35)29-26)15-21(31)28-20-11-8-17(9-12-20)23(33)27-14-22(32)36-2/h3-13H,14-15H2,1-2H3,(H,27,33)(H,28,31)(H,29,35).
What are the key properties of methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 488.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55396903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).