[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium

C19H25N2O3+ — CID 8936252

IUPAC[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-21(2)13-16(14-8-6-5-7-9-14)20-19(22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeyOZVPXTONCHIWAB-INIZCTEOSA-O
MW329.42 g/mol
LogP1.32
Rot. Bonds7

About [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8936252) has the molecular formula C19H25N2O3+ and a molecular weight of 329.42 g/mol. Its IUPAC name is [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
PubChem CID8936252
Molecular FormulaC19H25N2O3+
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-21(2)13-16(14-8-6-5-7-9-14)20-19(22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeyOZVPXTONCHIWAB-INIZCTEOSA-O
XLogP1.32
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938097
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium (CID 8936252) is [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium is COc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC.
What is the InChIKey of [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is OZVPXTONCHIWAB-INIZCTEOSA-O. The full InChI is InChI=1S/C19H24N2O3/c1-21(2)13-16(14-8-6-5-7-9-14)20-19(22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m0/s1.
What are the key properties of [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 329.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8936252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).