tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C20H34N2O5 — CID 59657482

IUPACtert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)N(CC1CCCCC1)C2CO
InChIInChI=1S/C20H34N2O5/c1-19(2,3)26-17(24)21-11-9-20(10-12-21)16(14-23)22(18(25)27-20)13-15-7-5-4-6-8-15/h15-16,23H,4-14H2,1-3H3
InChIKeyPRGPSNYASPNMCP-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 59657482) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID59657482
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Nametert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)N(CC1CCCCC1)C2CO
InChIInChI=1S/C20H34N2O5/c1-19(2,3)26-17(24)21-11-9-20(10-12-21)16(14-23)22(18(25)27-20)13-15-7-5-4-6-8-15/h15-16,23H,4-14H2,1-3H3
InChIKeyPRGPSNYASPNMCP-UHFFFAOYSA-N
XLogP3.15
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
CID 86276705
tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
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tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl (3S)-3-(hydroxymethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97312173
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 59657482) is tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)N(CC1CCCCC1)C2CO.
What is the InChIKey of tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is PRGPSNYASPNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-19(2,3)26-17(24)21-11-9-20(10-12-21)16(14-23)22(18(25)27-20)13-15-7-5-4-6-8-15/h15-16,23H,4-14H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclohexylmethyl)-4-(hydroxymethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59657482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).