[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium

C26H31N2O3+ — CID 2215708

IUPAC[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
SMILESCCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C26H30N2O3/c1-3-30-25-17-22(18-27-16-15-21-10-5-4-6-11-21)13-14-24(25)31-19-26(29)28-23-12-8-7-9-20(23)2/h4-14,17,27H,3,15-16,18-19H2,1-2H3,(H,28,29)/p+1
InChIKeyUVUXTEYJTVQABG-UHFFFAOYSA-O
MW419.55 g/mol
LogP3.72
Rot. Bonds11

About [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium

[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium (PubChem CID 2215708) has the molecular formula C26H31N2O3+ and a molecular weight of 419.55 g/mol. Its IUPAC name is [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
PubChem CID2215708
Molecular FormulaC26H31N2O3+
Molecular Weight419.55 g/mol
Exact Mass419.23
IUPAC Name[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
SMILESCCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C26H30N2O3/c1-3-30-25-17-22(18-27-16-15-21-10-5-4-6-11-21)13-14-24(25)31-19-26(29)28-23-12-8-7-9-20(23)2/h4-14,17,27H,3,15-16,18-19H2,1-2H3,(H,28,29)/p+1
InChIKeyUVUXTEYJTVQABG-UHFFFAOYSA-O
XLogP3.72
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.72
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-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7479073
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2215420
butyl-[[3-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methyl]azanium
CID 7372063
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 19617913
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
CID 2960401

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium?
The IUPAC name of [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium (CID 2215708) is [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium.
What is the SMILES notation for [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium?
The canonical SMILES for [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium is CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C.
What is the InChIKey of [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium?
The InChIKey is UVUXTEYJTVQABG-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H30N2O3/c1-3-30-25-17-22(18-27-16-15-21-10-5-4-6-11-21)13-14-24(25)31-19-26(29)28-23-12-8-7-9-20(23)2/h4-14,17,27H,3,15-16,18-19H2,1-2H3,(H,28,29)/p+1.
What are the key properties of [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium?
[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium has a molecular weight of 419.55 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 2215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).