[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C24H34N3O2+ — CID 9043917

IUPAC[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C24H33N3O2/c1-7-27(8-2)24(29)23(20-12-10-9-11-13-20)26(6)16-21(28)25-22-18(4)14-17(3)15-19(22)5/h9-15,23H,7-8,16H2,1-6H3,(H,25,28)/p+1/t23-/m0/s1
InChIKeyLZHFKWOVCJZFFJ-QHCPKHFHSA-O
MW396.56 g/mol
LogP2.67
Rot. Bonds8

About [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9043917) has the molecular formula C24H34N3O2+ and a molecular weight of 396.56 g/mol. Its IUPAC name is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9043917
Molecular FormulaC24H34N3O2+
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C24H33N3O2/c1-7-27(8-2)24(29)23(20-12-10-9-11-13-20)26(6)16-21(28)25-22-18(4)14-17(3)15-19(22)5/h9-15,23H,7-8,16H2,1-6H3,(H,25,28)/p+1/t23-/m0/s1
InChIKeyLZHFKWOVCJZFFJ-QHCPKHFHSA-O
XLogP2.67
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 9041416
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9040030
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8793600
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338380
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221779
methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338626

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9043917) is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is LZHFKWOVCJZFFJ-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H33N3O2/c1-7-27(8-2)24(29)23(20-12-10-9-11-13-20)26(6)16-21(28)25-22-18(4)14-17(3)15-19(22)5/h9-15,23H,7-8,16H2,1-6H3,(H,25,28)/p+1/t23-/m0/s1.
What are the key properties of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 396.56 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9043917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).