[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C17H21N2O2+ — CID 8898444

IUPAC[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(14-8-4-3-5-9-14)18-12-17(20)19-15-10-6-7-11-16(15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyXFXLJOOVNTUPRU-CYBMUJFWSA-O
MW285.37 g/mol
LogP1.96
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8898444) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8898444
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(14-8-4-3-5-9-14)18-12-17(20)19-15-10-6-7-11-16(15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyXFXLJOOVNTUPRU-CYBMUJFWSA-O
XLogP1.96
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
CID 2441198
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8898444) is [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is XFXLJOOVNTUPRU-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-13(14-8-4-3-5-9-14)18-12-17(20)19-15-10-6-7-11-16(15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 285.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8898444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).