tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate

C18H24N2O4 — CID 91265737

IUPACtert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C18H24N2O4/c1-17(2,3)22-16(21)23-20-11-9-18(10-12-20)13-15(19-24-18)14-7-5-4-6-8-14/h4-8,13,19H,9-12H2,1-3H3
InChIKeyHREGWPVGDNXWAP-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate

tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate (PubChem CID 91265737) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate
PubChem CID91265737
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C18H24N2O4/c1-17(2,3)22-16(21)23-20-11-9-18(10-12-20)13-15(19-24-18)14-7-5-4-6-8-14/h4-8,13,19H,9-12H2,1-3H3
InChIKeyHREGWPVGDNXWAP-UHFFFAOYSA-N
XLogP3.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl [3-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 90790786
Tert-butyl 3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 57249161
Methyl 3-[3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]propanoate
CID 57319662
(S)-1-benzyl-3-(tert-butoxycarbonyloxyamino) piperidine
CID 86641242
[(1-Benzylpiperidin-3-yl)amino] tert-butyl carbonate
CID 87509462
Tert-butyl 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90704272
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
CID 90839387
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
Tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
CID 90920602
Tert-butyl 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90959920
Tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91069369

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate?
The IUPAC name of tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate (CID 91265737) is tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate.
What is the SMILES notation for tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate?
The canonical SMILES for tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate is CC(C)(C)OC(=O)ON1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate?
The InChIKey is HREGWPVGDNXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-17(2,3)22-16(21)23-20-11-9-18(10-12-20)13-15(19-24-18)14-7-5-4-6-8-14/h4-8,13,19H,9-12H2,1-3H3.
What are the key properties of tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate?
tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate has a molecular weight of 332.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate is sourced from PubChem (CID 91265737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).