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

C22H28N2O6 — CID 95715385

IUPACmethyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCC(=O)c1ccccc1)CC2
InChIInChI=1S/C22H28N2O6/c1-3-30-24-20(27)15-17(21(28)29-2)22(24)11-13-23(14-12-22)19(26)10-9-18(25)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3/t17-/m1/s1
InChIKeyHSCREROJJWWAGP-QGZVFWFLSA-N
MW416.47 g/mol
LogP1.98
Rot. Bonds7

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

methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 95715385) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID95715385
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Namemethyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCC(=O)c1ccccc1)CC2
InChIInChI=1S/C22H28N2O6/c1-3-30-24-20(27)15-17(21(28)29-2)22(24)11-13-23(14-12-22)19(26)10-9-18(25)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3/t17-/m1/s1
InChIKeyHSCREROJJWWAGP-QGZVFWFLSA-N
XLogP1.98
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
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-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852741
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
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-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687356
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 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687245
methyl 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351
methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95708997
methyl 8-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-1-methoxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56855600

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 95715385) is methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCC(=O)c1ccccc1)CC2.
What is the InChIKey of methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is HSCREROJJWWAGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-3-30-24-20(27)15-17(21(28)29-2)22(24)11-13-23(14-12-22)19(26)10-9-18(25)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 416.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 95715385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).