1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one

C21H31NO3 — CID 124822465

IUPAC1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)CCc1ccccc1C)CC2
InChIInChI=1S/C21H31NO3/c1-17-5-3-4-6-18(17)7-8-20(23)22-13-11-21(12-14-22)19(9-15-24-2)10-16-25-21/h3-6,19H,7-16H2,1-2H3/t19-/m1/s1
InChIKeyWJSOVJYGXTUNAS-LJQANCHMSA-N
MW345.48 g/mol
LogP3.36
Rot. Bonds6

About 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one

1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 124822465) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID124822465
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)CCc1ccccc1C)CC2
InChIInChI=1S/C21H31NO3/c1-17-5-3-4-6-18(17)7-8-20(23)22-13-11-21(12-14-22)19(9-15-24-2)10-16-25-21/h3-6,19H,7-16H2,1-2H3/t19-/m1/s1
InChIKeyWJSOVJYGXTUNAS-LJQANCHMSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124795904
[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
CID 124788983
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
CID 133143306
1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
4-methyl-1-[4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]pentan-1-one
CID 131692507
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919
(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124796749
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one (CID 124822465) is 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one is COCC[C@@H]1CCOC12CCN(C(=O)CCc1ccccc1C)CC2.
What is the InChIKey of 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is WJSOVJYGXTUNAS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31NO3/c1-17-5-3-4-6-18(17)7-8-20(23)22-13-11-21(12-14-22)19(9-15-24-2)10-16-25-21/h3-6,19H,7-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one?
1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 345.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 124822465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).