ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate

C14H26N2O4 — CID 134575994

IUPACethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate
SMILESCCCCN(C(=O)OCC)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O4/c1-3-5-8-16(13(17)18-4-2)15-9-6-14(7-10-15)19-11-12-20-14/h3-12H2,1-2H3
InChIKeyHBYAUQVGRZQKSZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.00
Rot. Bonds5

About ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate

ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate (PubChem CID 134575994) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate
PubChem CID134575994
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate
SMILESCCCCN(C(=O)OCC)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O4/c1-3-5-8-16(13(17)18-4-2)15-9-6-14(7-10-15)19-11-12-20-14/h3-12H2,1-2H3
InChIKeyHBYAUQVGRZQKSZ-UHFFFAOYSA-N
XLogP2.00
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989729
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
CID 78897408
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959

Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate?
The IUPAC name of ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate (CID 134575994) is ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate.
What is the SMILES notation for ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate?
The canonical SMILES for ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate is CCCCN(C(=O)OCC)N1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate?
The InChIKey is HBYAUQVGRZQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-8-16(13(17)18-4-2)15-9-6-14(7-10-15)19-11-12-20-14/h3-12H2,1-2H3.
What are the key properties of ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate?
ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate has a molecular weight of 286.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate is sourced from PubChem (CID 134575994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).