N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C21H21N3O5 — CID 7888555

IUPACN-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-4-14-7-5-6-13(2)18(14)22-17(25)12-23-19(26)20(27)24(21(23)28)15-8-10-16(29-3)11-9-15/h5-11H,4,12H2,1-3H3,(H,22,25)
InChIKeyUIUNRXSGYDFSRP-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.50
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7888555) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7888555
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-4-14-7-5-6-13(2)18(14)22-17(25)12-23-19(26)20(27)24(21(23)28)15-8-10-16(29-3)11-9-15/h5-11H,4,12H2,1-3H3,(H,22,25)
InChIKeyUIUNRXSGYDFSRP-UHFFFAOYSA-N
XLogP2.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 17452103
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888566
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7491838
N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 46858872
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7888555) is N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is UIUNRXSGYDFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-4-14-7-5-6-13(2)18(14)22-17(25)12-23-19(26)20(27)24(21(23)28)15-8-10-16(29-3)11-9-15/h5-11H,4,12H2,1-3H3,(H,22,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7888555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).