tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate

C18H23ClN2O3 — CID 91139083

IUPACtert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-17(2,3)23-16(22)21-10-8-18(9-11-21)12-15(20-24-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyGTDIFELXKIJIAU-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.99
Rot. Bonds1

About tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate

tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 91139083) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID91139083
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Nametert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-17(2,3)23-16(22)21-10-8-18(9-11-21)12-15(20-24-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyGTDIFELXKIJIAU-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-(1-methylethyl)-
CID 3077257
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-methyl-4-methylene-
CID 3077268
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-propyl-
CID 3077277
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-ethyl-4-methylene-
CID 3077278
3-Butyl-8-(2-(4-chlorophenyl)ethyl)-4-methylene-1-oxa-3,8-diazaspiro(4.5)decan-2-one
CID 10784911
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4-Chlorobenzyl-3-[(tert-butoxycarbonyl)amino]piperidine
CID 18426153
4-[Amino-(4-chlorophenyl)methyl]piperidine-1-carboxylic acid tert-butyl ester
CID 24828979
tert-Butyl 4-(4-chlorobenzylamino)piperidine-1-carboxylate
CID 42880079
Tert-butyl 4-amino-4-(4-chlorophenyl)piperidine-1-carboxylate
CID 49760829
tert-Butyl [1-(4-chlorobenzyl)piperidin-4-yl]methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (CID 91139083) is tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is GTDIFELXKIJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-17(2,3)23-16(22)21-10-8-18(9-11-21)12-15(20-24-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 350.85 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 91139083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).