3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione

C18H24N2O3 — CID 87022463

IUPAC3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c21-15(9-20-16(22)10-19(17(20)23)14-1-2-14)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2
InChIKeyYNKUQXIRTSGEAP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.20
Rot. Bonds4

About 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione

3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022463) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022463
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c21-15(9-20-16(22)10-19(17(20)23)14-1-2-14)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2
InChIKeyYNKUQXIRTSGEAP-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022463) is 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1CC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is YNKUQXIRTSGEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-15(9-20-16(22)10-19(17(20)23)14-1-2-14)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2.
What are the key properties of 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).