3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C26H28N2O3 — CID 55304336

IUPAC3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C26H28N2O3/c1-25(21-7-6-19-4-2-3-5-20(19)11-21)23(30)28(24(31)27-25)15-22(29)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,27,31)
InChIKeyMDHKAGARRNPIEJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.39
Rot. Bonds4

About 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 55304336) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID55304336
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C26H28N2O3/c1-25(21-7-6-19-4-2-3-5-20(19)11-21)23(30)28(24(31)27-25)15-22(29)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,27,31)
InChIKeyMDHKAGARRNPIEJ-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7242931
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
N,N-dibutyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42893211
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-2-ylacetamide
CID 166210015

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 55304336) is 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is MDHKAGARRNPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-25(21-7-6-19-4-2-3-5-20(19)11-21)23(30)28(24(31)27-25)15-22(29)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,27,31).
What are the key properties of 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 416.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 55304336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).