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

C21H23N3O5 — CID 4878935

IUPACN-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-5-7-15(8-6-13)24-14(2)20(26)23(21(24)27)12-19(25)22-17-11-16(28-3)9-10-18(17)29-4/h5-11,14H,12H2,1-4H3,(H,22,25)
InChIKeyDIISTUBAVKNOPB-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.81
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4878935) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4878935
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-5-7-15(8-6-13)24-14(2)20(26)23(21(24)27)12-19(25)22-17-11-16(28-3)9-10-18(17)29-4/h5-11,14H,12H2,1-4H3,(H,22,25)
InChIKeyDIISTUBAVKNOPB-UHFFFAOYSA-N
XLogP2.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4878935) is N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DIISTUBAVKNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13-5-7-15(8-6-13)24-14(2)20(26)23(21(24)27)12-19(25)22-17-11-16(28-3)9-10-18(17)29-4/h5-11,14H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4878935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).