[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

C21H22N3O2+ — CID 7043455

IUPAC[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-7-11-17(14-19)24-21(25)20(16-8-3-2-4-9-16)23-15-18-10-5-6-13-22-18/h2-14,20,23H,15H2,1H3,(H,24,25)/p+1/t20-/m0/s1
InChIKeyTULMJBWVWYJNCQ-FQEVSTJZSA-O
MW348.43 g/mol
LogP2.53
Rot. Bonds7

About [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (PubChem CID 7043455) has the molecular formula C21H22N3O2+ and a molecular weight of 348.43 g/mol. Its IUPAC name is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
PubChem CID7043455
Molecular FormulaC21H22N3O2+
Molecular Weight348.43 g/mol
Exact Mass348.17
IUPAC Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-7-11-17(14-19)24-21(25)20(16-8-3-2-4-9-16)23-15-18-10-5-6-13-22-18/h2-14,20,23H,15H2,1H3,(H,24,25)/p+1/t20-/m0/s1
InChIKeyTULMJBWVWYJNCQ-FQEVSTJZSA-O
XLogP2.53
TPSA67.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium with MolForge

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Related Compounds

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
CID 8515576
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7928623
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
1-(3-methoxyphenyl)-3-(pyridin-2-ylmethyl)thiourea
CID 2250497
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (CID 7043455) is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The InChIKey is TULMJBWVWYJNCQ-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-12-7-11-17(14-19)24-21(25)20(16-8-3-2-4-9-16)23-15-18-10-5-6-13-22-18/h2-14,20,23H,15H2,1H3,(H,24,25)/p+1/t20-/m0/s1.
What are the key properties of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium has a molecular weight of 348.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7043455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).