3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide

C12H22N2O3 — CID 112726882

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22N2O3/c1-2-13-11(15)3-6-14-7-4-12(5-8-14)16-9-10-17-12/h2-10H2,1H3,(H,13,15)
InChIKeyPFEWRGASJZHLEI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.35
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide (PubChem CID 112726882) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
PubChem CID112726882
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22N2O3/c1-2-13-11(15)3-6-14-7-4-12(5-8-14)16-9-10-17-12/h2-10H2,1H3,(H,13,15)
InChIKeyPFEWRGASJZHLEI-UHFFFAOYSA-N
XLogP0.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 114448872
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide (CID 112726882) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide is CCNC(=O)CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide?
The InChIKey is PFEWRGASJZHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-13-11(15)3-6-14-7-4-12(5-8-14)16-9-10-17-12/h2-10H2,1H3,(H,13,15).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide is sourced from PubChem (CID 112726882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).