(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C24H30N2O4 — CID 7565321

IUPAC(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C24H30N2O4/c1-23(13-18-5-3-4-6-19(18)30-2)21(28)26(22(29)25-23)14-20(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,15-17H,7-14H2,1-2H3,(H,25,29)/t15?,16?,17?,23-,24?/m0/s1
InChIKeyHVBGAYBGRYSPFQ-RGHJJJJLSA-N
MW410.51 g/mol
LogP3.33
Rot. Bonds6

About (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7565321) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID7565321
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C24H30N2O4/c1-23(13-18-5-3-4-6-19(18)30-2)21(28)26(22(29)25-23)14-20(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,15-17H,7-14H2,1-2H3,(H,25,29)/t15?,16?,17?,23-,24?/m0/s1
InChIKeyHVBGAYBGRYSPFQ-RGHJJJJLSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4780704
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565739
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2541213
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7566741
N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7566379

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 7565321) is (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HVBGAYBGRYSPFQ-RGHJJJJLSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-23(13-18-5-3-4-6-19(18)30-2)21(28)26(22(29)25-23)14-20(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,15-17H,7-14H2,1-2H3,(H,25,29)/t15?,16?,17?,23-,24?/m0/s1.
What are the key properties of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 410.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7565321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).