methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

C26H30N2O6 — CID 95715065

IUPACmethyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C26H30N2O6/c1-32-16-17-34-28-23(29)18-22(25(31)33-2)26(28)12-14-27(15-13-26)24(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyFOFNMAHKGXQZEY-JOCHJYFZSA-N
MW466.53 g/mol
LogP2.93
Rot. Bonds7

About methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 95715065) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID95715065
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Namemethyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C26H30N2O6/c1-32-16-17-34-28-23(29)18-22(25(31)33-2)26(28)12-14-27(15-13-26)24(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyFOFNMAHKGXQZEY-JOCHJYFZSA-N
XLogP2.93
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687356
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852008
methyl (4S)-1-methoxy-2-oxo-8-(1-phenylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95711849
methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715385
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
methyl 8-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687288
methyl 1-methoxy-2-oxo-8-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852081
methyl 1-ethoxy-2-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852137
methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687245
(4aR,8aS)-1-(2-methoxyethyl)-6-(4-phenylbenzoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 118755495

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 95715065) is methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is COCCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2.
What is the InChIKey of methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is FOFNMAHKGXQZEY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-32-16-17-34-28-23(29)18-22(25(31)33-2)26(28)12-14-27(15-13-26)24(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3/t22-/m1/s1.
What are the key properties of methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 95715065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).