3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione

C26H43N3O3 — CID 123299569

IUPAC3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)C2CCC3(CCCCCCCC3)NC2)C(=O)C1(C)C1CCCC1
InChIInChI=1S/C26H43N3O3/c1-3-29-24(32)28(23(31)25(29,2)21-12-8-9-13-21)19-22(30)20-14-17-26(27-18-20)15-10-6-4-5-7-11-16-26/h20-21,27H,3-19H2,1-2H3
InChIKeyCUBDFLWCVOSCJY-UHFFFAOYSA-N
MW445.65 g/mol
LogP4.66
Rot. Bonds5

About 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione

3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 123299569) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID123299569
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC Name3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)C2CCC3(CCCCCCCC3)NC2)C(=O)C1(C)C1CCCC1
InChIInChI=1S/C26H43N3O3/c1-3-29-24(32)28(23(31)25(29,2)21-12-8-9-13-21)19-22(30)20-14-17-26(27-18-20)15-10-6-4-5-7-11-16-26/h20-21,27H,3-19H2,1-2H3
InChIKeyCUBDFLWCVOSCJY-UHFFFAOYSA-N
XLogP4.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione (CID 123299569) is 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=O)N(CC(=O)C2CCC3(CCCCCCCC3)NC2)C(=O)C1(C)C1CCCC1.
What is the InChIKey of 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is CUBDFLWCVOSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-3-29-24(32)28(23(31)25(29,2)21-12-8-9-13-21)19-22(30)20-14-17-26(27-18-20)15-10-6-4-5-7-11-16-26/h20-21,27H,3-19H2,1-2H3.
What are the key properties of 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 445.65 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 123299569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).