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

C29H33N3O4 — CID 46560966

IUPACN-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1
InChIInChI=1S/C29H33N3O4/c1-28(21-5-9-24(36-2)10-6-21)26(34)32(27(35)31-28)17-25(33)30-23-7-3-22(4-8-23)29-14-18-11-19(15-29)13-20(12-18)16-29/h3-10,18-20H,11-17H2,1-2H3,(H,30,33)(H,31,35)
InChIKeyZYJJDKDHEWGLAS-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.57
Rot. Bonds6

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

N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46560966) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46560966
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1
InChIInChI=1S/C29H33N3O4/c1-28(21-5-9-24(36-2)10-6-21)26(34)32(27(35)31-28)17-25(33)30-23-7-3-22(4-8-23)29-14-18-11-19(15-29)13-20(12-18)16-29/h3-10,18-20H,11-17H2,1-2H3,(H,30,33)(H,31,35)
InChIKeyZYJJDKDHEWGLAS-UHFFFAOYSA-N
XLogP4.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24575832
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
butyl 4-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 24672758
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857219
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 55567215
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 40842811
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43000350
2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42064247

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46560966) is N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZYJJDKDHEWGLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-28(21-5-9-24(36-2)10-6-21)26(34)32(27(35)31-28)17-25(33)30-23-7-3-22(4-8-23)29-14-18-11-19(15-29)13-20(12-18)16-29/h3-10,18-20H,11-17H2,1-2H3,(H,30,33)(H,31,35).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46560966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).