2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C21H32N2O3 — CID 72871448

IUPAC2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H32N2O3/c1-2-23-17-21(8-10-22(11-9-21)12-14-26-15-13-24)16-19(20(23)25)18-6-4-3-5-7-18/h3-7,19,24H,2,8-17H2,1H3
InChIKeyFYBJMSFHFSHVOV-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.11
Rot. Bonds7

About 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72871448) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72871448
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H32N2O3/c1-2-23-17-21(8-10-22(11-9-21)12-14-26-15-13-24)16-19(20(23)25)18-6-4-3-5-7-18/h3-7,19,24H,2,8-17H2,1H3
InChIKeyFYBJMSFHFSHVOV-UHFFFAOYSA-N
XLogP2.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72871448) is 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FYBJMSFHFSHVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-2-23-17-21(8-10-22(11-9-21)12-14-26-15-13-24)16-19(20(23)25)18-6-4-3-5-7-18/h3-7,19,24H,2,8-17H2,1H3.
What are the key properties of 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72871448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).