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

C24H25N3O4 — CID 46421740

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N(C)C(C)c3cc4ccccc4o3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-9-11-18(12-10-15)24(3)22(29)27(23(30)25-24)14-21(28)26(4)16(2)20-13-17-7-5-6-8-19(17)31-20/h5-13,16H,14H2,1-4H3,(H,25,30)
InChIKeyCMWBNYQDQDZPQZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46421740) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46421740
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N(C)C(C)c3cc4ccccc4o3)C2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-9-11-18(12-10-15)24(3)22(29)27(23(30)25-24)14-21(28)26(4)16(2)20-13-17-7-5-6-8-19(17)31-20/h5-13,16H,14H2,1-4H3,(H,25,30)
InChIKeyCMWBNYQDQDZPQZ-UHFFFAOYSA-N
XLogP3.73
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27942378
N-[3-[1-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46533516
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 134057951
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 41251630
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41167289
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(naphthalen-2-ylmethyl)acetamide
CID 46663971
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9484095
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55588689
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46421740) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)N(C)C(C)c3cc4ccccc4o3)C2=O)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CMWBNYQDQDZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-9-11-18(12-10-15)24(3)22(29)27(23(30)25-24)14-21(28)26(4)16(2)20-13-17-7-5-6-8-19(17)31-20/h5-13,16H,14H2,1-4H3,(H,25,30).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).