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

C20H30N2O3 — CID 72933489

IUPAC9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C20H30N2O3/c1-21-16-20(7-9-22(10-8-20)11-13-25-14-12-23)15-18(19(21)24)17-5-3-2-4-6-17/h2-6,18,23H,7-16H2,1H3
InChIKeyUENJIJMCKZIIJI-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.72
Rot. Bonds6

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

9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72933489) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72933489
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C20H30N2O3/c1-21-16-20(7-9-22(10-8-20)11-13-25-14-12-23)15-18(19(21)24)17-5-3-2-4-6-17/h2-6,18,23H,7-16H2,1H3
InChIKeyUENJIJMCKZIIJI-UHFFFAOYSA-N
XLogP1.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.72
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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Related Compounds

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CID 10453145
Racemoramide
CID 9648
Dopram
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Droxypropine
CID 208903
Desmethylmoramide
CID 206005
1-Morpholino-2,2-diphenylethanone
CID 229280
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
(2,2-Diphenylcyclopropyl)(morpholin-4-yl)methanone
CID 661533
4-(2,2-Diphenylpropanoyl)morpholine
CID 889990

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72933489) is 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCOCCO)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UENJIJMCKZIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21-16-20(7-9-22(10-8-20)11-13-25-14-12-23)15-18(19(21)24)17-5-3-2-4-6-17/h2-6,18,23H,7-16H2,1H3.
What are the key properties of 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72933489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).