[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium

C16H24FN2O+ — CID 7406527

IUPAC[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12(16(20)19-15-5-3-2-4-6-15)18-11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/p+1/t12-/m0/s1
InChIKeySOUKSWNKTZHJAJ-LBPRGKRZSA-O
MW279.38 g/mol
LogP1.73
Rot. Bonds5

About [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 7406527) has the molecular formula C16H24FN2O+ and a molecular weight of 279.38 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
PubChem CID7406527
Molecular FormulaC16H24FN2O+
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12(16(20)19-15-5-3-2-4-6-15)18-11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/p+1/t12-/m0/s1
InChIKeySOUKSWNKTZHJAJ-LBPRGKRZSA-O
XLogP1.73
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

1,3-benzodioxol-5-ylmethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium
CID 7236826
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 40722371
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7437194

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium (CID 7406527) is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium is C[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is SOUKSWNKTZHJAJ-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H23FN2O/c1-12(16(20)19-15-5-3-2-4-6-15)18-11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/p+1/t12-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 279.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7406527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).