1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C18H26N2O2 — CID 118742294

IUPAC1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2
InChIInChI=1S/C18H26N2O2/c1-2-20-17(22)16(15-6-4-3-5-7-15)14-18(20)8-10-19(11-9-18)12-13-21/h3-7,16,21H,2,8-14H2,1H3
InChIKeyLJBCSUROBZPEIH-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.85
Rot. Bonds4

About 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118742294) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118742294
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2
InChIInChI=1S/C18H26N2O2/c1-2-20-17(22)16(15-6-4-3-5-7-15)14-18(20)8-10-19(11-9-18)12-13-21/h3-7,16,21H,2,8-14H2,1H3
InChIKeyLJBCSUROBZPEIH-UHFFFAOYSA-N
XLogP1.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118742294) is 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2.
What is the InChIKey of 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LJBCSUROBZPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-20-17(22)16(15-6-4-3-5-7-15)14-18(20)8-10-19(11-9-18)12-13-21/h3-7,16,21H,2,8-14H2,1H3.
What are the key properties of 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 302.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).