[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C24H34N3O2+ — CID 9338807

IUPAC[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H33N3O2/c1-7-20-8-10-21(11-9-20)19(5)25-22(28)14-27(6)15-23(29)26-24-17(3)12-16(2)13-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/p+1/t19-/m1/s1
InChIKeyFEFYGXNGQZSVJF-LJQANCHMSA-O
MW396.56 g/mol
LogP2.50
Rot. Bonds8

About [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9338807) has the molecular formula C24H34N3O2+ and a molecular weight of 396.56 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9338807
Molecular FormulaC24H34N3O2+
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H33N3O2/c1-7-20-8-10-21(11-9-20)19(5)25-22(28)14-27(6)15-23(29)26-24-17(3)12-16(2)13-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/p+1/t19-/m1/s1
InChIKeyFEFYGXNGQZSVJF-LJQANCHMSA-O
XLogP2.50
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622767
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197681
methyl-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8635335
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
methyl-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622808
methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622689
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338595
methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338626
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124767
N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9221920
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9338807) is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is FEFYGXNGQZSVJF-LJQANCHMSA-O. The full InChI is InChI=1S/C24H33N3O2/c1-7-20-8-10-21(11-9-20)19(5)25-22(28)14-27(6)15-23(29)26-24-17(3)12-16(2)13-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/p+1/t19-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 396.56 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9338807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).