[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

C18H30N3O2+ — CID 8794144

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-21(13-16(22)19-18(2,3)4)14-17(23)20(5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,19,22)/p+1
InChIKeyHHDQWBQCSQCPCT-UHFFFAOYSA-O
MW320.46 g/mol
LogP0.46
Rot. Bonds7

About [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8794144) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
PubChem CID8794144
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-21(13-16(22)19-18(2,3)4)14-17(23)20(5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,19,22)/p+1
InChIKeyHHDQWBQCSQCPCT-UHFFFAOYSA-O
XLogP0.46
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8795668
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683368
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-(2-benzylsulfanylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 9039366
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
3-amino-N-benzyl-3-imino-N-methylpropanamide
CID 99990430
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (CID 8794144) is [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is HHDQWBQCSQCPCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-6-21(13-16(22)19-18(2,3)4)14-17(23)20(5)12-15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,19,22)/p+1.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 320.46 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).