[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium

C23H33N2O+ — CID 8992160

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)C(C)C)cc1
InChIInChI=1S/C23H32N2O/c1-6-18-11-13-20(14-12-18)22(16(3)4)24-15-21(26)25-23-17(5)9-8-10-19(23)7-2/h8-14,16,22,24H,6-7,15H2,1-5H3,(H,25,26)/p+1/t22-/m0/s1
InChIKeyZIVAPBRKVSXORG-QFIPXVFZSA-O
MW353.53 g/mol
LogP4.02
Rot. Bonds8

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium

[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium (PubChem CID 8992160) has the molecular formula C23H33N2O+ and a molecular weight of 353.53 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
PubChem CID8992160
Molecular FormulaC23H33N2O+
Molecular Weight353.53 g/mol
Exact Mass353.26
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)C(C)C)cc1
InChIInChI=1S/C23H32N2O/c1-6-18-11-13-20(14-12-18)22(16(3)4)24-15-21(26)25-23-17(5)9-8-10-19(23)7-2/h8-14,16,22,24H,6-7,15H2,1-5H3,(H,25,26)/p+1/t22-/m0/s1
InChIKeyZIVAPBRKVSXORG-QFIPXVFZSA-O
XLogP4.02
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9131757
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992000
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8998539
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133961
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium (CID 8992160) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium is CCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)C(C)C)cc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The InChIKey is ZIVAPBRKVSXORG-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H32N2O/c1-6-18-11-13-20(14-12-18)22(16(3)4)24-15-21(26)25-23-17(5)9-8-10-19(23)7-2/h8-14,16,22,24H,6-7,15H2,1-5H3,(H,25,26)/p+1/t22-/m0/s1.
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium has a molecular weight of 353.53 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 8992160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).