3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione

C15H22N2O2 — CID 3364483

IUPAC3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O2/c18-13-9-16-14(19)17(13)2-1-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19)
InChIKeyDIHRLUISNCVUQS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.14
Rot. Bonds3

About 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione

3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione (PubChem CID 3364483) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione
PubChem CID3364483
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O2/c18-13-9-16-14(19)17(13)2-1-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19)
InChIKeyDIHRLUISNCVUQS-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 4876764
3-(1-Adamantyl)-2,4-imidazolidinedione
CID 601015
1-(Adamantanylcarbonyl)imidazolidin-2-one
CID 3238563
1-(1-Adamantyl)imidazolidine-2,4,5-trione
CID 2466739
Cambridge id 6101659
CID 2885947
N-(adamantanylmethyl)-2-pyrrolidinylacetamide
CID 661136
3-[2-(Adamantan-1-yl)ethyl]-2-thioxoimidazolidin-4-one
CID 138756950
5-(Adamantan-1-yl)imidazolidine-2,4-dione
CID 71584820
1-(Adamantan-1-yl)imidazolidine-2,4-dione
CID 79777060
N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837476
3-[(Adamantan-1-yl)methyl]imidazolidine-2,4-dione
CID 138756927
3-[(Adamantan-1-yl)methyl]-2-thioxoimidazolidin-4-one
CID 138756930

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione (CID 3364483) is 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is DIHRLUISNCVUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13-9-16-14(19)17(13)2-1-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19).
What are the key properties of 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione?
3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 262.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3364483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).