tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate

C18H24N2O3 — CID 90920602

IUPACtert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C=C(c3ccccc3)NO2)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)22-16(21)20-11-7-10-18(13-20)12-15(19-23-18)14-8-5-4-6-9-14/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3
InChIKeyHMPHLFVQCZQQPR-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate

tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate (PubChem CID 90920602) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
PubChem CID90920602
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C=C(c3ccccc3)NO2)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)22-16(21)20-11-7-10-18(13-20)12-15(19-23-18)14-8-5-4-6-9-14/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3
InChIKeyHMPHLFVQCZQQPR-UHFFFAOYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8-Benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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8-Benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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8-Benzyl-3-methyl-4-methylene-2-oxo-1-oxa-3,8-diazaspiro[4,5]decane
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8-Benzyl-4-methylene-2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4,5]decane
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Tert-butyl 4-benzyl-4-oxidopiperazin-4-ium-1-carboxylate
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Tert-butyl 3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 57249161
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The IUPAC name of tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate (CID 90920602) is tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate.
What is the SMILES notation for tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The canonical SMILES for tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(C=C(c3ccccc3)NO2)C1.
What is the InChIKey of tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
The InChIKey is HMPHLFVQCZQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)22-16(21)20-11-7-10-18(13-20)12-15(19-23-18)14-8-5-4-6-9-14/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3.
What are the key properties of tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate?
tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate is sourced from PubChem (CID 90920602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).