3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H24N2O3 — CID 2578518

IUPAC3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCOc1ccccc1CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-2-23-15-10-6-5-9-14(15)13-20-16(21)18(19-17(20)22)11-7-3-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,22)
InChIKeyIYCXJJKJXOLBFK-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.23
Rot. Bonds4

About 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2578518) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2578518
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCOc1ccccc1CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-2-23-15-10-6-5-9-14(15)13-20-16(21)18(19-17(20)22)11-7-3-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,22)
InChIKeyIYCXJJKJXOLBFK-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2578518) is 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CCOc1ccccc1CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is IYCXJJKJXOLBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-15-10-6-5-9-14(15)13-20-16(21)18(19-17(20)22)11-7-3-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,22).
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2578518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).