1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H33N3O3 — CID 26133395

IUPAC1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C27H33N3O3/c1-33-22-21-30-26(32)29(18-14-24-11-6-3-7-12-24)25(31)27(30)15-19-28(20-16-27)17-8-13-23-9-4-2-5-10-23/h2-13H,14-22H2,1H3/b13-8+
InChIKeyIAROWIQURNYGNX-MDWZMJQESA-N
MW447.58 g/mol
LogP3.69
Rot. Bonds9

About 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26133395) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26133395
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C27H33N3O3/c1-33-22-21-30-26(32)29(18-14-24-11-6-3-7-12-24)25(31)27(30)15-19-28(20-16-27)17-8-13-23-9-4-2-5-10-23/h2-13H,14-22H2,1H3/b13-8+
InChIKeyIAROWIQURNYGNX-MDWZMJQESA-N
XLogP3.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
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 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26133395) is 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IAROWIQURNYGNX-MDWZMJQESA-N. The full InChI is InChI=1S/C27H33N3O3/c1-33-22-21-30-26(32)29(18-14-24-11-6-3-7-12-24)25(31)27(30)15-19-28(20-16-27)17-8-13-23-9-4-2-5-10-23/h2-13H,14-22H2,1H3/b13-8+.
What are the key properties of 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 447.58 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26133395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).