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

C20H19N3O7 — CID 55371785

IUPAC(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Oc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1
InChIInChI=1S/C20H19N3O7/c1-12-10-15(8-9-16(12)23(27)28)30-17(24)11-22-18(25)20(2,21-19(22)26)13-4-6-14(29-3)7-5-13/h4-10H,11H2,1-3H3,(H,21,26)
InChIKeyRRNUBOZNYIUSEX-UHFFFAOYSA-N
MW413.39 g/mol
LogP2.28
Rot. Bonds6

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

(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 55371785) has the molecular formula C20H19N3O7 and a molecular weight of 413.39 g/mol. Its IUPAC name is (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID55371785
Molecular FormulaC20H19N3O7
Molecular Weight413.39 g/mol
Exact Mass413.12
IUPAC Name(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Oc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1
InChIInChI=1S/C20H19N3O7/c1-12-10-15(8-9-16(12)23(27)28)30-17(24)11-22-18(25)20(2,21-19(22)26)13-4-6-14(29-3)7-5-13/h4-10H,11H2,1-3H3,(H,21,26)
InChIKeyRRNUBOZNYIUSEX-UHFFFAOYSA-N
XLogP2.28
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55779436
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 42982770
(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 31504133
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 4787753
N-(2-bromo-4-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16546024
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46665832
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 55371785) is (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(C2(C)NC(=O)N(CC(=O)Oc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1.
What is the InChIKey of (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is RRNUBOZNYIUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7/c1-12-10-15(8-9-16(12)23(27)28)30-17(24)11-22-18(25)20(2,21-19(22)26)13-4-6-14(29-3)7-5-13/h4-10H,11H2,1-3H3,(H,21,26).
What are the key properties of (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 413.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 55371785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).