[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium

C23H31F2N3O2+2 — CID 8852878

IUPAC[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium
SMILESC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)[NH+]1CCOCC1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C23H29F2N3O2/c1-17(23(29)26-11-10-18-2-6-20(24)7-3-18)27-16-22(28-12-14-30-15-13-28)19-4-8-21(25)9-5-19/h2-9,17,22,27H,10-16H2,1H3,(H,26,29)/p+2/t17-,22+/m0/s1
InChIKeyNAZNBYUCIIUVBN-HTAPYJJXSA-P
MW419.52 g/mol
LogP0.23
Rot. Bonds9

About [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium

[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium (PubChem CID 8852878) has the molecular formula C23H31F2N3O2+2 and a molecular weight of 419.52 g/mol. Its IUPAC name is [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium
PubChem CID8852878
Molecular FormulaC23H31F2N3O2+2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium
SMILESC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)[NH+]1CCOCC1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C23H29F2N3O2/c1-17(23(29)26-11-10-18-2-6-20(24)7-3-18)27-16-22(28-12-14-30-15-13-28)19-4-8-21(25)9-5-19/h2-9,17,22,27H,10-16H2,1H3,(H,26,29)/p+2/t17-,22+/m0/s1
InChIKeyNAZNBYUCIIUVBN-HTAPYJJXSA-P
XLogP0.23
TPSA59.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium with MolForge

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496720
1-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9442947
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
1-(4-ethylphenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8684247
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 2311906
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8838270

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium?
The IUPAC name of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium (CID 8852878) is [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium.
What is the SMILES notation for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium?
The canonical SMILES for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium is C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)[NH+]1CCOCC1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium?
The InChIKey is NAZNBYUCIIUVBN-HTAPYJJXSA-P. The full InChI is InChI=1S/C23H29F2N3O2/c1-17(23(29)26-11-10-18-2-6-20(24)7-3-18)27-16-22(28-12-14-30-15-13-28)19-4-8-21(25)9-5-19/h2-9,17,22,27H,10-16H2,1H3,(H,26,29)/p+2/t17-,22+/m0/s1.
What are the key properties of [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium?
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium has a molecular weight of 419.52 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium is sourced from PubChem (CID 8852878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).