benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C21H22N2O4 — CID 13016612

IUPACbenzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C1NC(c2ccccc2)C2(CCN(C(=O)OCc3ccccc3)CC2)O1
InChIInChI=1S/C21H22N2O4/c24-19-22-18(17-9-5-2-6-10-17)21(27-19)11-13-23(14-12-21)20(25)26-15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24)
InChIKeyUOAQXHBWPDSWMV-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.64
Rot. Bonds3

About benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 13016612) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID13016612
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namebenzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C1NC(c2ccccc2)C2(CCN(C(=O)OCc3ccccc3)CC2)O1
InChIInChI=1S/C21H22N2O4/c24-19-22-18(17-9-5-2-6-10-17)21(27-19)11-13-23(14-12-21)20(25)26-15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24)
InChIKeyUOAQXHBWPDSWMV-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 13016612) is benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is O=C1NC(c2ccccc2)C2(CCN(C(=O)OCc3ccccc3)CC2)O1.
What is the InChIKey of benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is UOAQXHBWPDSWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19-22-18(17-9-5-2-6-10-17)21(27-19)11-13-23(14-12-21)20(25)26-15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24).
What are the key properties of benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 13016612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).