[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

C19H25N2O+ — CID 9248772

IUPAC[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-13-9-8-10-14(2)18(13)21-19(22)16(4)20-15(3)17-11-6-5-7-12-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m1/s1
InChIKeyZXLFCYHPOLLWEI-HZPDHXFCSA-O
MW297.42 g/mol
LogP2.96
Rot. Bonds5

About [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (PubChem CID 9248772) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
PubChem CID9248772
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-13-9-8-10-14(2)18(13)21-19(22)16(4)20-15(3)17-11-6-5-7-12-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m1/s1
InChIKeyZXLFCYHPOLLWEI-HZPDHXFCSA-O
XLogP2.96
TPSA45.71 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248794
[(2S)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 2576614
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium
CID 8646000
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9043983
[(1R)-1-(3,4-difluorophenyl)ethyl]-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9043996
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051374

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (CID 9248772) is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is ZXLFCYHPOLLWEI-HZPDHXFCSA-O. The full InChI is InChI=1S/C19H24N2O/c1-13-9-8-10-14(2)18(13)21-19(22)16(4)20-15(3)17-11-6-5-7-12-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m1/s1.
What are the key properties of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 297.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 9248772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).