2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C20H28N2O4 — CID 97443621

IUPAC2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOCCOC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C20H28N2O4/c1-21-15-20(14-17(18(21)23)16-6-4-3-5-7-16)8-10-22(11-9-20)19(24)26-13-12-25-2/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1
InChIKeyKQVJBLMDTOEFMH-QGZVFWFLSA-N
MW360.45 g/mol
LogP2.50
Rot. Bonds4

About 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 97443621) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID97443621
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOCCOC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C20H28N2O4/c1-21-15-20(14-17(18(21)23)16-6-4-3-5-7-16)8-10-22(11-9-20)19(24)26-13-12-25-2/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1
InChIKeyKQVJBLMDTOEFMH-QGZVFWFLSA-N
XLogP2.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97144452
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
ethyl 2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72893524
2-cyclopropyl-9-(3-methoxypropanoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72852359
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 97443621) is 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is COCCOC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2.
What is the InChIKey of 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is KQVJBLMDTOEFMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-21-15-20(14-17(18(21)23)16-6-4-3-5-7-16)8-10-22(11-9-20)19(24)26-13-12-25-2/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 97443621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).