2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide

C20H20N4O6 — CID 42982770

IUPAC2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C20H20N4O6/c1-12-4-7-14(10-16(12)24(28)29)21-17(25)11-23-18(26)20(2,22-19(23)27)13-5-8-15(30-3)9-6-13/h4-10H,11H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyNEDAOHXYACUSDC-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 42982770) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID42982770
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C20H20N4O6/c1-12-4-7-14(10-16(12)24(28)29)21-17(25)11-23-18(26)20(2,22-19(23)27)13-5-8-15(30-3)9-6-13/h4-10H,11H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyNEDAOHXYACUSDC-UHFFFAOYSA-N
XLogP2.32
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46638683
(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55371785
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43000350
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide (CID 42982770) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is NEDAOHXYACUSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-12-4-7-14(10-16(12)24(28)29)21-17(25)11-23-18(26)20(2,22-19(23)27)13-5-8-15(30-3)9-6-13/h4-10H,11H2,1-3H3,(H,21,25)(H,22,27).
What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 412.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 42982770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).