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

C19H18N4O5 — CID 18074157

IUPAC2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H18N4O5/c1-12-3-7-15(8-4-12)22-13(2)18(25)21(19(22)26)11-17(24)20-14-5-9-16(10-6-14)23(27)28/h3-10,13H,11H2,1-2H3,(H,20,24)
InChIKeyXNJQWDNXWPRUGX-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.70
Rot. Bonds5

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

2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 18074157) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID18074157
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H18N4O5/c1-12-3-7-15(8-4-12)22-13(2)18(25)21(19(22)26)11-17(24)20-14-5-9-16(10-6-14)23(27)28/h3-10,13H,11H2,1-2H3,(H,20,24)
InChIKeyXNJQWDNXWPRUGX-UHFFFAOYSA-N
XLogP2.70
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(2-(Dimethylamino)ethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 3095535
3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2955798
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-p-tolylamide
CID 3221243
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217
N-(4-butylphenyl)-N'-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}ethanediamide
CID 4692200
2-[3-(4-Fluoro-phenyl)-1-(2-nitro-benzyl)-ureido]-N-hydroxy-propionamide
CID 44312195
(S)-3-(4-azidophenyl)-1-benzyl-5-methyl-imidazolidine-2,4-dione
CID 155515079
1-P-Tolyl-imidazolidine-2,4-dione
CID 759335
(5E)-1-benzyl-5-{[4-(dimethylamino)phenyl]methylidene}imidazolidine-2,4-dione
CID 25185444
2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 650709

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide (CID 18074157) is 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide is Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)C2C)cc1.
What is the InChIKey of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is XNJQWDNXWPRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-3-7-15(8-4-12)22-13(2)18(25)21(19(22)26)11-17(24)20-14-5-9-16(10-6-14)23(27)28/h3-10,13H,11H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 382.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 18074157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).