[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

C20H26FN2O+ — CID 9133436

IUPAC[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/p+1/t15-,20+/m0/s1
InChIKeyWLVZREYGCSPZSY-MGPUTAFESA-O
MW329.44 g/mol
LogP2.96
Rot. Bonds7

About [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (PubChem CID 9133436) has the molecular formula C20H26FN2O+ and a molecular weight of 329.44 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
PubChem CID9133436
Molecular FormulaC20H26FN2O+
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/p+1/t15-,20+/m0/s1
InChIKeyWLVZREYGCSPZSY-MGPUTAFESA-O
XLogP2.96
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium with MolForge

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Related Compounds

[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(2-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133680
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133208
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The IUPAC name of [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (CID 9133436) is [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The InChIKey is WLVZREYGCSPZSY-MGPUTAFESA-O. The full InChI is InChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/p+1/t15-,20+/m0/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium has a molecular weight of 329.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is sourced from PubChem (CID 9133436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).