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

C23H26N4O5 — CID 40883165

IUPAC2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H26N4O5/c1-14-6-11-17(18(12-14)27(31)32)24-19(28)13-26-20(29)23(5,25-21(26)30)16-9-7-15(8-10-16)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyOUDHYFCWFVBEDL-QHCPKHFHSA-N
MW438.48 g/mol
LogP3.61
Rot. Bonds5

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

2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 40883165) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID40883165
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H26N4O5/c1-14-6-11-17(18(12-14)27(31)32)24-19(28)13-26-20(29)23(5,25-21(26)30)16-9-7-15(8-10-16)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyOUDHYFCWFVBEDL-QHCPKHFHSA-N
XLogP3.61
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.61
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-[(2,4-dimethylphenyl)carbamoyl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41051955
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2577122
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55311252
N-(2-bromo-4-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16546024
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2438941
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001186
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001187

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide (CID 40883165) is 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is OUDHYFCWFVBEDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14-6-11-17(18(12-14)27(31)32)24-19(28)13-26-20(29)23(5,25-21(26)30)16-9-7-15(8-10-16)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)(H,25,30)/t23-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 40883165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).