[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

C22H29N4O3+ — CID 8552805

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H28N4O3/c1-5-23-22(29)25-21(28)20(17-11-7-6-8-12-17)26(4)14-19(27)24-18-13-9-10-15(2)16(18)3/h6-13,20H,5,14H2,1-4H3,(H,24,27)(H2,23,25,28,29)/p+1/t20-/m1/s1
InChIKeyLFZZWGGUGXOOED-HXUWFJFHSA-O
MW397.50 g/mol
LogP1.34
Rot. Bonds7

About [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8552805) has the molecular formula C22H29N4O3+ and a molecular weight of 397.50 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8552805
Molecular FormulaC22H29N4O3+
Molecular Weight397.50 g/mol
Exact Mass397.22
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H28N4O3/c1-5-23-22(29)25-21(28)20(17-11-7-6-8-12-17)26(4)14-19(27)24-18-13-9-10-15(2)16(18)3/h6-13,20H,5,14H2,1-4H3,(H,24,27)(H2,23,25,28,29)/p+1/t20-/m1/s1
InChIKeyLFZZWGGUGXOOED-HXUWFJFHSA-O
XLogP1.34
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium with MolForge

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846329
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 46614784
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9287497
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287664
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 7765259
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8552805) is [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is LFZZWGGUGXOOED-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H28N4O3/c1-5-23-22(29)25-21(28)20(17-11-7-6-8-12-17)26(4)14-19(27)24-18-13-9-10-15(2)16(18)3/h6-13,20H,5,14H2,1-4H3,(H,24,27)(H2,23,25,28,29)/p+1/t20-/m1/s1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 397.50 g/mol, XLogP of 1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8552805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).