3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C28H36N4O4 — CID 166184627

IUPAC3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1
InChIInChI=1S/C28H36N4O4/c1-18-3-5-22(6-4-18)27(2)24(34)32(26(36)29-27)17-23(33)30-7-9-31(10-8-30)25(35)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,19-21H,7-17H2,1-2H3,(H,29,36)
InChIKeyUBDKHJLCBYIQHB-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.65
Rot. Bonds4

About 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 166184627) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID166184627
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1
InChIInChI=1S/C28H36N4O4/c1-18-3-5-22(6-4-18)27(2)24(34)32(26(36)29-27)17-23(33)30-7-9-31(10-8-30)25(35)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,19-21H,7-17H2,1-2H3,(H,29,36)
InChIKeyUBDKHJLCBYIQHB-UHFFFAOYSA-N
XLogP2.65
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.65
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

(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
5-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 112791409
3-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 46479011
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
(5S)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178688
(3S,4S)-4-methyl-1-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 122112536

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 166184627) is 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1.
What is the InChIKey of 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is UBDKHJLCBYIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-18-3-5-22(6-4-18)27(2)24(34)32(26(36)29-27)17-23(33)30-7-9-31(10-8-30)25(35)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,19-21H,7-17H2,1-2H3,(H,29,36).
What are the key properties of 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 492.62 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 166184627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).