[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

C18H23N2O2+ — CID 9248610

IUPAC[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/p+1/t13-,14+/m1/s1
InChIKeyVJOUOYSFMAIEDX-KGLIPLIRSA-O
MW299.39 g/mol
LogP2.35
Rot. Bonds6

About [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (PubChem CID 9248610) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
PubChem CID9248610
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/p+1/t13-,14+/m1/s1
InChIKeyVJOUOYSFMAIEDX-KGLIPLIRSA-O
XLogP2.35
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9451661
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium
CID 7492661
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248794
[(2R)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720416
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(2S)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720414

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (CID 9248610) is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is VJOUOYSFMAIEDX-KGLIPLIRSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/p+1/t13-,14+/m1/s1.
What are the key properties of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 299.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 9248610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).