[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium

C17H27ClN3O2+ — CID 8636937

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-12(13-6-8-14(18)9-7-13)19-10-16(23)21(5)11-15(22)20-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeyHKIBFYWSFRMIEJ-GFCCVEGCSA-O
MW340.88 g/mol
LogP1.34
Rot. Bonds6

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium (PubChem CID 8636937) has the molecular formula C17H27ClN3O2+ and a molecular weight of 340.88 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
PubChem CID8636937
Molecular FormulaC17H27ClN3O2+
Molecular Weight340.88 g/mol
Exact Mass340.18
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-12(13-6-8-14(18)9-7-13)19-10-16(23)21(5)11-15(22)20-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeyHKIBFYWSFRMIEJ-GFCCVEGCSA-O
XLogP1.34
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9335080
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 99643676
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 51271531
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
CID 55828636
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335230

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium (CID 8636937) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium?
The InChIKey is HKIBFYWSFRMIEJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H26ClN3O2/c1-12(13-6-8-14(18)9-7-13)19-10-16(23)21(5)11-15(22)20-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3,(H,20,22)/p+1/t12-/m1/s1.
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium has a molecular weight of 340.88 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 8636937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).