2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

C20H35NO3 — CID 91930376

IUPAC2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CCC2CCCCC2)COC2(CCCCC2)N1
InChIInChI=1S/C20H35NO3/c1-17(22)23-15-14-19(13-10-18-8-4-2-5-9-18)16-24-20(21-19)11-6-3-7-12-20/h18,21H,2-16H2,1H3
InChIKeyNLFLBSYFMOCHNM-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.32
Rot. Bonds6

About 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 91930376) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID91930376
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CCC2CCCCC2)COC2(CCCCC2)N1
InChIInChI=1S/C20H35NO3/c1-17(22)23-15-14-19(13-10-18-8-4-2-5-9-18)16-24-20(21-19)11-6-3-7-12-20/h18,21H,2-16H2,1H3
InChIKeyNLFLBSYFMOCHNM-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-(7-Oxooctyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930382
2-(3-Isobutyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930392
2-(3-Propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930394
Butyl 7-(3-(2-acetoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)heptanoate
CID 91930395
Ethyl 7-(3-ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)heptanoate
CID 176436301

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 91930376) is 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCCC1(CCC2CCCCC2)COC2(CCCCC2)N1.
What is the InChIKey of 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is NLFLBSYFMOCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-17(22)23-15-14-19(13-10-18-8-4-2-5-9-18)16-24-20(21-19)11-6-3-7-12-20/h18,21H,2-16H2,1H3.
What are the key properties of 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 337.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclohexylethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 91930376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).