[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium

C18H23N2O2+ — CID 2439285

IUPAC[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,19,21)/p+1/t17-/m1/s1
InChIKeyCWPTUQHSCDRCGE-QGZVFWFLSA-O
MW299.39 g/mol
LogP1.31
Rot. Bonds6

About [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium

[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 2439285) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID2439285
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,19,21)/p+1/t17-/m1/s1
InChIKeyCWPTUQHSCDRCGE-QGZVFWFLSA-O
XLogP1.31
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731
[(1S)-2-(benzylcarbamothioylamino)-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8771351
[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8008987
[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795978
[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 9119911
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281
[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
CID 7496036
[(1R)-2-[(4-butoxybenzoyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
CID 2564831

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium (CID 2439285) is [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium is COc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1.
What is the InChIKey of [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is CWPTUQHSCDRCGE-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-20(2)17(14-9-11-16(22-3)12-10-14)13-19-18(21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,19,21)/p+1/t17-/m1/s1.
What are the key properties of [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 299.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 2439285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).