[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium

C19H33N2O4+ — CID 2087020

IUPAC[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccccc1OC
InChIInChI=1S/C19H32N2O4/c1-6-21(12-18(23)20-19(2,3)4)11-16(22)14-25-13-15-9-7-8-10-17(15)24-5/h7-10,16,22H,6,11-14H2,1-5H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyYTOKDZGMHOHEDN-INIZCTEOSA-O
MW353.48 g/mol
LogP0.39
Rot. Bonds10

About [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium (PubChem CID 2087020) has the molecular formula C19H33N2O4+ and a molecular weight of 353.48 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium
PubChem CID2087020
Molecular FormulaC19H33N2O4+
Molecular Weight353.48 g/mol
Exact Mass353.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccccc1OC
InChIInChI=1S/C19H32N2O4/c1-6-21(12-18(23)20-19(2,3)4)11-16(22)14-25-13-15-9-7-8-10-17(15)24-5/h7-10,16,22H,6,11-14H2,1-5H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyYTOKDZGMHOHEDN-INIZCTEOSA-O
XLogP0.39
TPSA72.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium with MolForge

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Related Compounds

N-tert-butyl-2-[ethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]acetamide
CID 4830565
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8794242
2-[(2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846802
1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
CID 88576704
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
1-tert-butyl-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 9425726
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
(2R)-3-[(2-methoxyphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69276432
2-[ethyl-[(2-methoxyphenyl)methyl]azaniumyl]acetate
CID 39245629
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium (CID 2087020) is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium is CC[NH+](CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccccc1OC.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium?
The InChIKey is YTOKDZGMHOHEDN-INIZCTEOSA-O. The full InChI is InChI=1S/C19H32N2O4/c1-6-21(12-18(23)20-19(2,3)4)11-16(22)14-25-13-15-9-7-8-10-17(15)24-5/h7-10,16,22H,6,11-14H2,1-5H3,(H,20,23)/p+1/t16-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium has a molecular weight of 353.48 g/mol, XLogP of 0.39, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]azanium is sourced from PubChem (CID 2087020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).