[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium

C23H33N2O3+ — CID 7479073

IUPAC[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium
SMILESCCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O3/c1-5-27-21-15-19(16-24-14-13-18-9-7-6-8-10-18)11-12-20(21)28-17-22(26)25-23(2,3)4/h6-12,15,24H,5,13-14,16-17H2,1-4H3,(H,25,26)/p+1
InChIKeyBYZUSZIWBZAANA-UHFFFAOYSA-O
MW385.53 g/mol
LogP2.68
Rot. Bonds10

About [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium

[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium (PubChem CID 7479073) has the molecular formula C23H33N2O3+ and a molecular weight of 385.53 g/mol. Its IUPAC name is [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium
PubChem CID7479073
Molecular FormulaC23H33N2O3+
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium
SMILESCCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O3/c1-5-27-21-15-19(16-24-14-13-18-9-7-6-8-10-18)11-12-20(21)28-17-22(26)25-23(2,3)4/h6-12,15,24H,5,13-14,16-17H2,1-4H3,(H,25,26)/p+1
InChIKeyBYZUSZIWBZAANA-UHFFFAOYSA-O
XLogP2.68
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2215708
[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2214441
[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2217310
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2215420
N-tert-butyl-2-[2-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17156002
butyl-[[3-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methyl]azanium
CID 7372063
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
N-tert-butyl-2-[2-ethoxy-4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293185
2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
CID 66526694
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024

Frequently Asked Questions

What is the IUPAC name of [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium?
The IUPAC name of [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium (CID 7479073) is [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium.
What is the SMILES notation for [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium?
The canonical SMILES for [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium is CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium?
The InChIKey is BYZUSZIWBZAANA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32N2O3/c1-5-27-21-15-19(16-24-14-13-18-9-7-6-8-10-18)11-12-20(21)28-17-22(26)25-23(2,3)4/h6-12,15,24H,5,13-14,16-17H2,1-4H3,(H,25,26)/p+1.
What are the key properties of [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium?
[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium has a molecular weight of 385.53 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 7479073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).