[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium

C24H25FN3O2+ — CID 8774439

IUPAC[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C(=O)NC(N)=O)c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H24FN3O2/c1-2-16-11-13-18(14-12-16)21(19-9-6-10-20(25)15-19)27-22(23(29)28-24(26)30)17-7-4-3-5-8-17/h3-15,21-22,27H,2H2,1H3,(H3,26,28,29,30)/p+1/t21-,22-/m0/s1
InChIKeyYXUZDXKVOACWLU-VXKWHMMOSA-O
MW406.48 g/mol
LogP2.98
Rot. Bonds7

About [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium (PubChem CID 8774439) has the molecular formula C24H25FN3O2+ and a molecular weight of 406.48 g/mol. Its IUPAC name is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
PubChem CID8774439
Molecular FormulaC24H25FN3O2+
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C(=O)NC(N)=O)c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H24FN3O2/c1-2-16-11-13-18(14-12-16)21(19-9-6-10-20(25)15-19)27-22(23(29)28-24(26)30)17-7-4-3-5-8-17/h3-15,21-22,27H,2H2,1H3,(H3,26,28,29,30)/p+1/t21-,22-/m0/s1
InChIKeyYXUZDXKVOACWLU-VXKWHMMOSA-O
XLogP2.98
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8830016
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769465
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720093
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719937
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 9445898
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830405

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium (CID 8774439) is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The canonical SMILES for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium is CCc1ccc([C@H]([NH2+][C@H](C(=O)NC(N)=O)c2ccccc2)c2cccc(F)c2)cc1.
What is the InChIKey of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The InChIKey is YXUZDXKVOACWLU-VXKWHMMOSA-O. The full InChI is InChI=1S/C24H24FN3O2/c1-2-16-11-13-18(14-12-16)21(19-9-6-10-20(25)15-19)27-22(23(29)28-24(26)30)17-7-4-3-5-8-17/h3-15,21-22,27H,2H2,1H3,(H3,26,28,29,30)/p+1/t21-,22-/m0/s1.
What are the key properties of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium has a molecular weight of 406.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8774439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).