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

C21H23N3O4 — CID 4880239

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-14-4-8-17(9-5-14)24-15(2)20(26)23(21(24)27)13-19(25)22-12-16-6-10-18(28-3)11-7-16/h4-11,15H,12-13H2,1-3H3,(H,22,25)
InChIKeyOIFBBKXVMBEXNV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.48
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4880239) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4880239
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-14-4-8-17(9-5-14)24-15(2)20(26)23(21(24)27)13-19(25)22-12-16-6-10-18(28-3)11-7-16/h4-11,15H,12-13H2,1-3H3,(H,22,25)
InChIKeyOIFBBKXVMBEXNV-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4880239) is N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(CNC(=O)CN2C(=O)C(C)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OIFBBKXVMBEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-4-8-17(9-5-14)24-15(2)20(26)23(21(24)27)13-19(25)22-12-16-6-10-18(28-3)11-7-16/h4-11,15H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).