[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C20H34N3O2+ — CID 9339800

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)23(14(3)4)19(25)12-22(8)11-18(24)21-20-16(6)9-15(5)10-17(20)7/h9-10,13-14H,11-12H2,1-8H3,(H,21,24)/p+1
InChIKeyTYNOKEIFUATKCT-UHFFFAOYSA-O
MW348.51 g/mol
LogP1.71
Rot. Bonds7

About [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9339800) has the molecular formula C20H34N3O2+ and a molecular weight of 348.51 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9339800
Molecular FormulaC20H34N3O2+
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)23(14(3)4)19(25)12-22(8)11-18(24)21-20-16(6)9-15(5)10-17(20)7/h9-10,13-14H,11-12H2,1-8H3,(H,21,24)/p+1
InChIKeyTYNOKEIFUATKCT-UHFFFAOYSA-O
XLogP1.71
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

methyl-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8635335
methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622689
methyl-[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622808
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338595
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8896238
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339260
methyl-(3-methylbut-2-enyl)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622091
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338807
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622002
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9339800) is [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N(C(C)C)C(C)C)c(C)c1.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is TYNOKEIFUATKCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)23(14(3)4)19(25)12-22(8)11-18(24)21-20-16(6)9-15(5)10-17(20)7/h9-10,13-14H,11-12H2,1-8H3,(H,21,24)/p+1.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 348.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9339800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).