benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium

C19H25N2O+ — CID 9274743

IUPACbenzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-9-8-10-15(2)18(14)20-19(22)16(3)21(4)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m1/s1
InChIKeyJEIOHNXFAHVPQO-MRXNPFEDSA-O
MW297.42 g/mol
LogP2.35
Rot. Bonds5

About benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium

benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9274743) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9274743
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Namebenzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-9-8-10-15(2)18(14)20-19(22)16(3)21(4)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m1/s1
InChIKeyJEIOHNXFAHVPQO-MRXNPFEDSA-O
XLogP2.35
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8516271
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9043338
(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9265127
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
(2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9045864
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912939
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium (CID 9274743) is benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium is Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1.
What is the InChIKey of benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is JEIOHNXFAHVPQO-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H24N2O/c1-14-9-8-10-15(2)18(14)20-19(22)16(3)21(4)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3,(H,20,22)/p+1/t16-/m1/s1.
What are the key properties of benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium?
benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 297.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9274743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).