tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate

C21H31NO4 — CID 166168690

IUPACtert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H31NO4/c1-20(2,3)26-19(23)22-17-13-21(25-15-17)11-9-18(10-12-21)24-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,22,23)
InChIKeyBTIAOIDJKOVMEI-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate

tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate (PubChem CID 166168690) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
PubChem CID166168690
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Nametert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H31NO4/c1-20(2,3)26-19(23)22-17-13-21(25-15-17)11-9-18(10-12-21)24-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,22,23)
InChIKeyBTIAOIDJKOVMEI-UHFFFAOYSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122212288
tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate
CID 58420812
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tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
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CID 142554256
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
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tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
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benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate (CID 166168690) is tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate is CC(C)(C)OC(=O)NC1COC2(CCC(OCc3ccccc3)CC2)C1.
What is the InChIKey of tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate?
The InChIKey is BTIAOIDJKOVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-20(2,3)26-19(23)22-17-13-21(25-15-17)11-9-18(10-12-21)24-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate?
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate has a molecular weight of 361.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate is sourced from PubChem (CID 166168690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).