tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate

C34H49FN2O8 — CID 170605351

IUPACtert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1COc1ccccc1C1CCC(OCC2N(C(=O)OC(C)(C)C)CCC23COC(F)C(=O)N3)CC1
InChIInChI=1S/C34H49FN2O8/c1-32(2,3)44-30(39)25-17-22(25)18-42-26-10-8-7-9-24(26)21-11-13-23(14-12-21)41-19-27-34(20-43-28(35)29(38)36-34)15-16-37(27)31(40)45-33(4,5)6/h7-10,21-23,25,27-28H,11-20H2,1-6H3,(H,36,38)
InChIKeyXZZKLMMNCKRPHC-UHFFFAOYSA-N
MW632.77 g/mol
LogP5.28
Rot. Bonds8

About tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 170605351) has the molecular formula C34H49FN2O8 and a molecular weight of 632.77 g/mol. Its IUPAC name is tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
PubChem CID170605351
Molecular FormulaC34H49FN2O8
Molecular Weight632.77 g/mol
Exact Mass632.35
IUPAC Nametert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1COc1ccccc1C1CCC(OCC2N(C(=O)OC(C)(C)C)CCC23COC(F)C(=O)N3)CC1
InChIInChI=1S/C34H49FN2O8/c1-32(2,3)44-30(39)25-17-22(25)18-42-26-10-8-7-9-24(26)21-11-13-23(14-12-21)41-19-27-34(20-43-28(35)29(38)36-34)15-16-37(27)31(40)45-33(4,5)6/h7-10,21-23,25,27-28H,11-20H2,1-6H3,(H,36,38)
InChIKeyXZZKLMMNCKRPHC-UHFFFAOYSA-N
XLogP5.28
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate (CID 170605351) is tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)C1CC1COc1ccccc1C1CCC(OCC2N(C(=O)OC(C)(C)C)CCC23COC(F)C(=O)N3)CC1.
What is the InChIKey of tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is XZZKLMMNCKRPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49FN2O8/c1-32(2,3)44-30(39)25-17-22(25)18-42-26-10-8-7-9-24(26)21-11-13-23(14-12-21)41-19-27-34(20-43-28(35)29(38)36-34)15-16-37(27)31(40)45-33(4,5)6/h7-10,21-23,25,27-28H,11-20H2,1-6H3,(H,36,38).
What are the key properties of tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 632.77 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-fluoro-1-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]methoxy]phenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 170605351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).