[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

C20H34N3O2+ — CID 8996254

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCC(C)Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)11-16-7-9-17(10-8-16)20(15(3)4)22-12-18(24)21-13-19(25)23(5)6/h7-10,14-15,20,22H,11-13H2,1-6H3,(H,21,24)/p+1/t20-/m1/s1
InChIKeyPBROBXKMBLUYIN-HXUWFJFHSA-O
MW348.51 g/mol
LogP1.35
Rot. Bonds9

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (PubChem CID 8996254) has the molecular formula C20H34N3O2+ and a molecular weight of 348.51 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
PubChem CID8996254
Molecular FormulaC20H34N3O2+
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCC(C)Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)11-16-7-9-17(10-8-16)20(15(3)4)22-12-18(24)21-13-19(25)23(5)6/h7-10,14-15,20,22H,11-13H2,1-6H3,(H,21,24)/p+1/t20-/m1/s1
InChIKeyPBROBXKMBLUYIN-HXUWFJFHSA-O
XLogP1.35
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium with MolForge

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Related Compounds

[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8834655
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923907
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923899
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8996223
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129818
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996261
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]azanium
CID 9126389
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996150
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8689088
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (CID 8996254) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is CC(C)Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)N(C)C)C(C)C)cc1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The InChIKey is PBROBXKMBLUYIN-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H33N3O2/c1-14(2)11-16-7-9-17(10-8-16)20(15(3)4)22-12-18(24)21-13-19(25)23(5)6/h7-10,14-15,20,22H,11-13H2,1-6H3,(H,21,24)/p+1/t20-/m1/s1.
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium has a molecular weight of 348.51 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is sourced from PubChem (CID 8996254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).