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

C21H22N4O5 — CID 24565834

IUPAC2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C21H22N4O5/c1-3-4-14-5-9-16(10-6-14)22-18(26)13-24-19(27)21(2,23-20(24)28)15-7-11-17(12-8-15)25(29)30/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyDMGYAYPWLVAXJV-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.95
Rot. Bonds7

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

2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide (PubChem CID 24565834) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
PubChem CID24565834
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C21H22N4O5/c1-3-4-14-5-9-16(10-6-14)22-18(26)13-24-19(27)21(2,23-20(24)28)15-7-11-17(12-8-15)25(29)30/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyDMGYAYPWLVAXJV-UHFFFAOYSA-N
XLogP2.95
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 55375107
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-pentylphenyl)acetamide
CID 43007214
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630086
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
N-(2-ethylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 78800724
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide (CID 24565834) is 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The InChIKey is DMGYAYPWLVAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-3-4-14-5-9-16(10-6-14)22-18(26)13-24-19(27)21(2,23-20(24)28)15-7-11-17(12-8-15)25(29)30/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide has a molecular weight of 410.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 24565834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).