tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate

C20H28N2O3 — CID 140937019

IUPACtert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC12CCN(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)21-17-13-20(17)9-11-22(12-10-20)14-16(23)15-7-5-4-6-8-15/h4-8,17H,9-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyADUFDKSDVQJCCH-KRWDZBQOSA-N
MW344.45 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate

tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate (PubChem CID 140937019) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
PubChem CID140937019
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Nametert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC12CCN(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)21-17-13-20(17)9-11-22(12-10-20)14-16(23)15-7-5-4-6-8-15/h4-8,17H,9-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyADUFDKSDVQJCCH-KRWDZBQOSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206
N-[6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116068
tert-butyl N-(7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-yl)carbamate
CID 86691374
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208
tert-butyl N-[1-[2-(4-bromophenyl)-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 174883539
tert-butyl N-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771200
(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146563060
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
CID 20792134

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate (CID 140937019) is tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC12CCN(CC(=O)c1ccccc1)CC2.
What is the InChIKey of tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate?
The InChIKey is ADUFDKSDVQJCCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)21-17-13-20(17)9-11-22(12-10-20)14-16(23)15-7-5-4-6-8-15/h4-8,17H,9-14H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate?
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate has a molecular weight of 344.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate is sourced from PubChem (CID 140937019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).