2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C23H34N2O3 — CID 97152362

IUPAC2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1ccccc1)C(C)C)CC2
InChIInChI=1S/C23H34N2O3/c1-18(2)21(19-7-5-4-6-8-19)22(27)24-13-11-23(12-14-24)10-9-20(26)25(17-23)15-16-28-3/h4-8,18,21H,9-17H2,1-3H3/t21-/m1/s1
InChIKeyQUZFJYDAFLVODL-OAQYLSRUSA-N
MW386.54 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97152362) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97152362
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1ccccc1)C(C)C)CC2
InChIInChI=1S/C23H34N2O3/c1-18(2)21(19-7-5-4-6-8-19)22(27)24-13-11-23(12-14-24)10-9-20(26)25(17-23)15-16-28-3/h4-8,18,21H,9-17H2,1-3H3/t21-/m1/s1
InChIKeyQUZFJYDAFLVODL-OAQYLSRUSA-N
XLogP3.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104
9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97152362) is 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1ccccc1)C(C)C)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QUZFJYDAFLVODL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-18(2)21(19-7-5-4-6-8-19)22(27)24-13-11-23(12-14-24)10-9-20(26)25(17-23)15-16-28-3/h4-8,18,21H,9-17H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97152362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).