methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate

C11H18N2O5 — CID 47369570

IUPACmethyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18N2O5/c1-16-10(15)12-8-9(14)13-4-2-11(3-5-13)17-6-7-18-11/h2-8H2,1H3,(H,12,15)
InChIKeyXWOPQHBWSRRUFH-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.29
Rot. Bonds2

About methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate

methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate (PubChem CID 47369570) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate
PubChem CID47369570
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18N2O5/c1-16-10(15)12-8-9(14)13-4-2-11(3-5-13)17-6-7-18-11/h2-8H2,1H3,(H,12,15)
InChIKeyXWOPQHBWSRRUFH-UHFFFAOYSA-N
XLogP-0.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Cyclohexylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 1439903
n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515249
N-(2-cyanoethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34227225
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112725276
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(ethylcarbamoyl)acetamide
CID 35425630
2-Amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;yttrium
CID 57797514
1-[2-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-ethyl]-piperazin-2-one
CID 90172453

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate (CID 47369570) is methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate?
The InChIKey is XWOPQHBWSRRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-16-10(15)12-8-9(14)13-4-2-11(3-5-13)17-6-7-18-11/h2-8H2,1H3,(H,12,15).
What are the key properties of methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate?
methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate has a molecular weight of 258.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 47369570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).