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

C23H26N4O6 — CID 46665832

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H26N4O6/c1-14(2)20(15-5-11-18(33-4)12-6-15)24-19(28)13-26-21(29)23(3,25-22(26)30)16-7-9-17(10-8-16)27(31)32/h5-12,14,20H,13H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyDOAOWYOYMUUUHK-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.88
Rot. Bonds8

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

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46665832) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46665832
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H26N4O6/c1-14(2)20(15-5-11-18(33-4)12-6-15)24-19(28)13-26-21(29)23(3,25-22(26)30)16-7-9-17(10-8-16)27(31)32/h5-12,14,20H,13H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyDOAOWYOYMUUUHK-UHFFFAOYSA-N
XLogP2.88
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.88
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-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46665792
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 47009609
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 94781992
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 47094404
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46670398
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 43042896

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46665832) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DOAOWYOYMUUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-14(2)20(15-5-11-18(33-4)12-6-15)24-19(28)13-26-21(29)23(3,25-22(26)30)16-7-9-17(10-8-16)27(31)32/h5-12,14,20H,13H2,1-4H3,(H,24,28)(H,25,30).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 454.48 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46665832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).