tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate

C22H32N2O4 — CID 91069369

IUPACtert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(C(C)(C)C)cc3)NO2)CC1
InChIInChI=1S/C22H32N2O4/c1-20(2,3)17-9-7-16(8-10-17)18-15-22(28-23-18)11-13-24(14-12-22)27-19(25)26-21(4,5)6/h7-10,15,23H,11-14H2,1-6H3
InChIKeyGTQOCRXQIWKUCI-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.56
Rot. Bonds2

About tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate

tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate (PubChem CID 91069369) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
PubChem CID91069369
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nametert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(C(C)(C)C)cc3)NO2)CC1
InChIInChI=1S/C22H32N2O4/c1-20(2,3)17-9-7-16(8-10-17)18-15-22(28-23-18)11-13-24(14-12-22)27-19(25)26-21(4,5)6/h7-10,15,23H,11-14H2,1-6H3
InChIKeyGTQOCRXQIWKUCI-UHFFFAOYSA-N
XLogP4.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate with MolForge

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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
[4-(Aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate
CID 66617245
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90845726
Tert-butyl 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90959920
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 91004234
Tert-butyl 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91071216
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 91090684
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91188658
Tert-butyl [3-[(4-tert-butylphenyl)methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91208206
Tert-butyl (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) carbonate
CID 91265737
3-(4-Tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
CID 91379488
3-(4-Methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
CID 91492727

Frequently Asked Questions

What is the IUPAC name of tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The IUPAC name of tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate (CID 91069369) is tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate.
What is the SMILES notation for tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The canonical SMILES for tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate is CC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(C(C)(C)C)cc3)NO2)CC1.
What is the InChIKey of tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The InChIKey is GTQOCRXQIWKUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-20(2,3)17-9-7-16(8-10-17)18-15-22(28-23-18)11-13-24(14-12-22)27-19(25)26-21(4,5)6/h7-10,15,23H,11-14H2,1-6H3.
What are the key properties of tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate has a molecular weight of 388.51 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate is sourced from PubChem (CID 91069369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).