3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H27N3O3 — CID 2475229

IUPAC3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCN(Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H27N3O3/c1-25-13-12-21(14-16-8-4-2-5-9-16)15-22-17(23)19(20-18(22)24)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,20,24)
InChIKeyIUFYPUSGAJBZMO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds7

About 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2475229) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2475229
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCN(Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H27N3O3/c1-25-13-12-21(14-16-8-4-2-5-9-16)15-22-17(23)19(20-18(22)24)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,20,24)
InChIKeyIUFYPUSGAJBZMO-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
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-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2475229) is 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COCCN(Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IUFYPUSGAJBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-13-12-21(14-16-8-4-2-5-9-16)15-22-17(23)19(20-18(22)24)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,20,24).
What are the key properties of 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2475229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).