[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium

C18H23N2O3+ — CID 2217310

IUPAC[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21)/p+1
InChIKeyOUZGIOCIMGNKLC-UHFFFAOYSA-O
MW315.39 g/mol
LogP0.87
Rot. Bonds9

About [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium

[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium (PubChem CID 2217310) has the molecular formula C18H23N2O3+ and a molecular weight of 315.39 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
PubChem CID2217310
Molecular FormulaC18H23N2O3+
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21)/p+1
InChIKeyOUZGIOCIMGNKLC-UHFFFAOYSA-O
XLogP0.87
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.87
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

[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2215420
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
CID 44664906
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 8638256
[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7479073
[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2215708
butyl-[[3-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methyl]azanium
CID 7372063
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)azanium
CID 7393752
2-[[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium
CID 7315153
[3-iodo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methyl-(2-phenylethyl)azanium
CID 2237530
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium?
The IUPAC name of [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium (CID 2217310) is [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium.
What is the SMILES notation for [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium?
The canonical SMILES for [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium is COc1ccc(C[NH2+]CCc2ccccc2)cc1OCC(N)=O.
What is the InChIKey of [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium?
The InChIKey is OUZGIOCIMGNKLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21)/p+1.
What are the key properties of [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium?
[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium has a molecular weight of 315.39 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 2217310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).