5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid

C18H23FN2O5 — CID 174790333

IUPAC5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
SMILESCC(CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C18H23FN2O5/c1-12(18(24)25)2-7-15(17(23)21-8-10-26-11-9-21)20-16(22)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,22)(H,24,25)
InChIKeyNYWPHIYMCJGNLY-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.28
Rot. Bonds7

About 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid

5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid (PubChem CID 174790333) has the molecular formula C18H23FN2O5 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
PubChem CID174790333
Molecular FormulaC18H23FN2O5
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
SMILESCC(CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C18H23FN2O5/c1-12(18(24)25)2-7-15(17(23)21-8-10-26-11-9-21)20-16(22)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,22)(H,24,25)
InChIKeyNYWPHIYMCJGNLY-UHFFFAOYSA-N
XLogP1.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9104538
4-fluoro-N-[3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512101
4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512103
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
4-fluoro-N-[5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
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N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 140734604
3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
CID 110347258
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid (CID 174790333) is 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid is CC(CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid?
The InChIKey is NYWPHIYMCJGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5/c1-12(18(24)25)2-7-15(17(23)21-8-10-26-11-9-21)20-16(22)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid?
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid has a molecular weight of 366.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid is sourced from PubChem (CID 174790333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).