[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

C19H25N2O2+ — CID 8805602

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-10-11-18(23-4)16(12-14)13-21(3)15(2)19(22)20-17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyZRBRQNPQIMHJGB-HNNXBMFYSA-O
MW313.42 g/mol
LogP2.05
Rot. Bonds6

About [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (PubChem CID 8805602) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
PubChem CID8805602
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-10-11-18(23-4)16(12-14)13-21(3)15(2)19(22)20-17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyZRBRQNPQIMHJGB-HNNXBMFYSA-O
XLogP2.05
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-5-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8805562
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805658
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylazanium
CID 8515511
(4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 9460714
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8773713
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805644
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658265
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (CID 8805602) is [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is COc1ccc(C)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The InChIKey is ZRBRQNPQIMHJGB-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-14-10-11-18(23-4)16(12-14)13-21(3)15(2)19(22)20-17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium has a molecular weight of 313.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8805602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).