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

C20H28N2O3 — CID 91076917

IUPACtert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(CCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H28N2O3/c1-19(2,3)24-18(23)22-13-11-20(12-14-22)15-17(21-25-20)10-9-16-7-5-4-6-8-16/h4-8,15,21H,9-14H2,1-3H3
InChIKeyPPMCUVJXGUBAHA-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.81
Rot. Bonds3

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

tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 91076917) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID91076917
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Nametert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(CCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H28N2O3/c1-19(2,3)24-18(23)22-13-11-20(12-14-22)15-17(21-25-20)10-9-16-7-5-4-6-8-16/h4-8,15,21H,9-14H2,1-3H3
InChIKeyPPMCUVJXGUBAHA-UHFFFAOYSA-N
XLogP3.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(3-phenylpropyl)-
CID 3077244
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(2-phenylethyl)-
CID 3077247
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-phenylethyl)-
CID 3077253
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-methylene-8-(2-phenylethyl)-3-propyl-
CID 3077285
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-butyl-4-methylene-8-(2-phenylethyl)-
CID 3077267
1-Piperidinecarboxylic acid, 4-amino-4-(phenylmethyl)-, 1,1-dimethylethyl ester
CID 20664719
Tert-butyl (1-(3-phenylpropyl)piperidin-4-yl)carbamate
CID 52622503
Tert-butyl 3-benzyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950581
tert-butyl (2E)-2-benzylidenepiperidine-1-carboxylate
CID 12184787
tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate
CID 23251688
3-Butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10544278
Tert-butyl 4-(3-phenylpropyl)amino-piperidine-carboxylate
CID 12146690

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (CID 91076917) is tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C(CCc3ccccc3)NO2)CC1.
What is the InChIKey of tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is PPMCUVJXGUBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2,3)24-18(23)22-13-11-20(12-14-22)15-17(21-25-20)10-9-16-7-5-4-6-8-16/h4-8,15,21H,9-14H2,1-3H3.
What are the key properties of tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 91076917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).