tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate

C20H35NO5 — CID 153338497

IUPACtert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC1CCC2(CC1)OCCO2)C1CCOCC1
InChIInChI=1S/C20H35NO5/c1-19(2,3)26-18(22)21(17-7-12-23-13-8-17)11-6-16-4-9-20(10-5-16)24-14-15-25-20/h16-17H,4-15H2,1-3H3
InChIKeyOKESMJBXJDCJHF-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.73
Rot. Bonds4

About tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate

tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate (PubChem CID 153338497) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate
PubChem CID153338497
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Nametert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC1CCC2(CC1)OCCO2)C1CCOCC1
InChIInChI=1S/C20H35NO5/c1-19(2,3)26-18(22)21(17-7-12-23-13-8-17)11-6-16-4-9-20(10-5-16)24-14-15-25-20/h16-17H,4-15H2,1-3H3
InChIKeyOKESMJBXJDCJHF-UHFFFAOYSA-N
XLogP3.73
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate (CID 153338497) is tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate is CC(C)(C)OC(=O)N(CCC1CCC2(CC1)OCCO2)C1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate?
The InChIKey is OKESMJBXJDCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5/c1-19(2,3)26-18(22)21(17-7-12-23-13-8-17)11-6-16-4-9-20(10-5-16)24-14-15-25-20/h16-17H,4-15H2,1-3H3.
What are the key properties of tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate?
tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate has a molecular weight of 369.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-(oxan-4-yl)carbamate is sourced from PubChem (CID 153338497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).