4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide

C20H27FN2O4 — CID 135094171

IUPAC4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
SMILESCC1(O)CCOC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H27FN2O4/c1-19(26)9-13-27-20(14-19)7-11-23(12-8-20)17(24)6-10-22-18(25)15-2-4-16(21)5-3-15/h2-5,26H,6-14H2,1H3,(H,22,25)
InChIKeyJILVRZICYQMVLK-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.87
Rot. Bonds4

About 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide

4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide (PubChem CID 135094171) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
PubChem CID135094171
Molecular FormulaC20H27FN2O4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
SMILESCC1(O)CCOC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H27FN2O4/c1-19(26)9-13-27-20(14-19)7-11-23(12-8-20)17(24)6-10-22-18(25)15-2-4-16(21)5-3-15/h2-5,26H,6-14H2,1H3,(H,22,25)
InChIKeyJILVRZICYQMVLK-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide with MolForge

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Related Compounds

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CID 46577163
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4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
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N-[3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-oxopropyl]-4-fluorobenzamide
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2-(3,4-dimethylphenoxy)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
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4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 163313170
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
CID 72549808

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide (CID 135094171) is 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide is CC1(O)CCOC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide?
The InChIKey is JILVRZICYQMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O4/c1-19(26)9-13-27-20(14-19)7-11-23(12-8-20)17(24)6-10-22-18(25)15-2-4-16(21)5-3-15/h2-5,26H,6-14H2,1H3,(H,22,25).
What are the key properties of 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide?
4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 135094171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).