[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium

C19H25N2O+ — CID 9248578

IUPAC[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-13-10-11-14(2)18(12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m0/s1
InChIKeyOUOPKAXUJZJFIP-HOTGVXAUSA-O
MW297.42 g/mol
LogP2.96
Rot. Bonds5

About [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium (PubChem CID 9248578) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
PubChem CID9248578
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-13-10-11-14(2)18(12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m0/s1
InChIKeyOUOPKAXUJZJFIP-HOTGVXAUSA-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

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
[(2S)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 2576614
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248794
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049271
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium (CID 9248578) is [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium is Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c1.
What is the InChIKey of [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is OUOPKAXUJZJFIP-HOTGVXAUSA-O. The full InChI is InChI=1S/C19H24N2O/c1-13-10-11-14(2)18(12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/p+1/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-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 [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 9248578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).