2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C19H26F2N2O3 — CID 131696926

IUPAC2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCN(C)C1CCOC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C19H26F2N2O3/c1-22(2)15-5-10-26-19(12-15)6-8-23(9-7-19)18(24)13-25-17-11-14(20)3-4-16(17)21/h3-4,11,15H,5-10,12-13H2,1-2H3
InChIKeyWSKUJVRMNXTBAK-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.45
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 131696926) has the molecular formula C19H26F2N2O3 and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID131696926
Molecular FormulaC19H26F2N2O3
Molecular Weight368.42 g/mol
Exact Mass368.19
IUPAC Name2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCN(C)C1CCOC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C19H26F2N2O3/c1-22(2)15-5-10-26-19(12-15)6-8-23(9-7-19)18(24)13-25-17-11-14(20)3-4-16(17)21/h3-4,11,15H,5-10,12-13H2,1-2H3
InChIKeyWSKUJVRMNXTBAK-UHFFFAOYSA-N
XLogP2.45
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
1-cyclopropyl-3-ethyl-1-[9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 91909261
1-[3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-methoxyethoxy)ethanone
CID 110138665
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 131691645
1-cyclopropyl-1-[9-[2-(4-methylphenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-propan-2-ylurea
CID 91909292
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 131691635
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976
2-(2,4-difluorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727182
6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 131696926) is 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CN(C)C1CCOC2(CCN(C(=O)COc3cc(F)ccc3F)CC2)C1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is WSKUJVRMNXTBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O3/c1-22(2)15-5-10-26-19(12-15)6-8-23(9-7-19)18(24)13-25-17-11-14(20)3-4-16(17)21/h3-4,11,15H,5-10,12-13H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 368.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 131696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).