tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate

C26H38N2O6 — CID 170605542

IUPACtert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(COC(=O)N2)C1COC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C26H38N2O6/c1-25(2,3)34-24(30)28-15-7-14-26(18-33-23(29)27-26)22(28)17-32-21-12-10-20(11-13-21)31-16-19-8-5-4-6-9-19/h4-6,8-9,20-22H,7,10-18H2,1-3H3,(H,27,29)
InChIKeyHGNFEGTVOIROCH-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.41
Rot. Bonds6

About tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 170605542) has the molecular formula C26H38N2O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID170605542
Molecular FormulaC26H38N2O6
Molecular Weight474.60 g/mol
Exact Mass474.27
IUPAC Nametert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(COC(=O)N2)C1COC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C26H38N2O6/c1-25(2,3)34-24(30)28-15-7-14-26(18-33-23(29)27-26)22(28)17-32-21-12-10-20(11-13-21)31-16-19-8-5-4-6-9-19/h4-6,8-9,20-22H,7,10-18H2,1-3H3,(H,27,29)
InChIKeyHGNFEGTVOIROCH-UHFFFAOYSA-N
XLogP4.41
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Related Compounds

tert-butyl (6S,7R)-2-oxo-7-[(1-phenylmethoxycarbonylpiperidin-4-yl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 170774885
tert-butyl (2R,3S)-3-amino-3-(hydroxymethyl)-2-[(4-phenylmethoxycyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 170605670
tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 170605682
tert-butyl 2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 166107607
tert-butyl (6R,7R)-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,3,8-triazaspiro[5.5]undecane-8-carboxylate
CID 170774809
tert-butyl 2-tert-butyl-3-oxo-5-phenylmethoxyazepane-1-carboxylate
CID 118222044
tert-butyl (4R)-2,2-dioxo-4-[(4-phenylmethoxycyclohexyl)oxymethyl]oxathiazolidine-3-carboxylate
CID 134357616
tert-butyl 1-[[4-(3,5-difluoro-2-phenylmethoxyphenyl)cyclohex-3-en-1-yl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 177299781
4,4,4-trifluoro-3-[2-[4-[[(1R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decan-1-yl]methoxy]cyclohexyl]phenoxy]butanoic acid
CID 175966459
tert-butyl 1-[(4-cyclohexa-1,5-dien-1-ylcyclohexyl)oxymethyl]-8-methyl-11-oxa-2,7-diazaspiro[5.6]dodecane-2-carboxylate
CID 166107630
(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 166107524
tert-butyl 3-(chloromethylsulfonylamino)-3-(hydroxymethyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 166107797

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 170605542) is tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(COC(=O)N2)C1COC1CCC(OCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is HGNFEGTVOIROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O6/c1-25(2,3)34-24(30)28-15-7-14-26(18-33-23(29)27-26)22(28)17-32-21-12-10-20(11-13-21)31-16-19-8-5-4-6-9-19/h4-6,8-9,20-22H,7,10-18H2,1-3H3,(H,27,29).
What are the key properties of tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 170605542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).