[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C17H21N2O2+ — CID 8898185

IUPAC[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyFYFRCFHXNYRMCD-CYBMUJFWSA-O
MW285.37 g/mol
LogP1.96
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8898185) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8898185
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyFYFRCFHXNYRMCD-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

[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9253921
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9377468
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
3-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 2910619
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8898185) is [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is FYFRCFHXNYRMCD-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(3-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-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8898185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).