(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane

C17H25NO3 — CID 124818022

IUPAC(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1ccccc1OC)C2
InChIInChI=1S/C17H25NO3/c1-3-20-15-8-9-21-17(10-15)12-18(13-17)11-14-6-4-5-7-16(14)19-2/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyJNXAVTWQNCSKQN-HNNXBMFYSA-N
MW291.39 g/mol
LogP2.47
Rot. Bonds5

About (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124818022) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124818022
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1ccccc1OC)C2
InChIInChI=1S/C17H25NO3/c1-3-20-15-8-9-21-17(10-15)12-18(13-17)11-14-6-4-5-7-16(14)19-2/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyJNXAVTWQNCSKQN-HNNXBMFYSA-N
XLogP2.47
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124912592
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137575
8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155833679
(8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124819367
2-[[(8S)-2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785582
(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800681
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131656569
1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
CID 124828538
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124818022) is (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane is CCO[C@H]1CCOC2(C1)CN(Cc1ccccc1OC)C2.
What is the InChIKey of (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is JNXAVTWQNCSKQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-15-8-9-21-17(10-15)12-18(13-17)11-14-6-4-5-7-16(14)19-2/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 291.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124818022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).