cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C18H31NO3 — CID 97487114

IUPACcyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C18H31NO3/c1-21-12-7-15-13-18(22-14-15)8-10-19(11-9-18)17(20)16-5-3-2-4-6-16/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyBXSVKKGVTBCQAK-HNNXBMFYSA-N
MW309.45 g/mol
LogP3.00
Rot. Bonds4

About cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97487114) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97487114
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Namecyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C18H31NO3/c1-21-12-7-15-13-18(22-14-15)8-10-19(11-9-18)17(20)16-5-3-2-4-6-16/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyBXSVKKGVTBCQAK-HNNXBMFYSA-N
XLogP3.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164626454
2-methoxy-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146074060
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
CID 97418772
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 122569705

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97487114) is cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COCC[C@@H]1COC2(CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is BXSVKKGVTBCQAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-21-12-7-15-13-18(22-14-15)8-10-19(11-9-18)17(20)16-5-3-2-4-6-16/h15-16H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 309.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97487114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).