[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium

C22H30N3O2+ — CID 8793600

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-6-25(19-13-8-7-9-14-19)22(27)18(4)24(5)15-20(26)23-21-16(2)11-10-12-17(21)3/h7-14,18H,6,15H2,1-5H3,(H,23,26)/p+1/t18-/m1/s1
InChIKeyAJVRDNYKYMIJFC-GOSISDBHSA-O
MW368.50 g/mol
LogP2.20
Rot. Bonds7

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8793600) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID8793600
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-6-25(19-13-8-7-9-14-19)22(27)18(4)24(5)15-20(26)23-21-16(2)11-10-12-17(21)3/h7-14,18H,6,15H2,1-5H3,(H,23,26)/p+1/t18-/m1/s1
InChIKeyAJVRDNYKYMIJFC-GOSISDBHSA-O
XLogP2.20
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8767377
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]azanium
CID 9347983
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]azanium
CID 9347979
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9221773
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
CID 8793810
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9221803
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221779
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9043917
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919048
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium (CID 8793600) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium is CCN(C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is AJVRDNYKYMIJFC-GOSISDBHSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-6-25(19-13-8-7-9-14-19)22(27)18(4)24(5)15-20(26)23-21-16(2)11-10-12-17(21)3/h7-14,18H,6,15H2,1-5H3,(H,23,26)/p+1/t18-/m1/s1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 368.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8793600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).