dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium

C23H27N2O2+ — CID 8794942

IUPACdimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)COc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-25(2)21(14-18-8-4-3-5-9-18)16-24-23(26)17-27-22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15,21H,14,16-17H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1
InChIKeyGWYANYMYGVCJIL-NRFANRHFSA-O
MW363.48 g/mol
LogP2.09
Rot. Bonds8

About dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium

dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium (PubChem CID 8794942) has the molecular formula C23H27N2O2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium
PubChem CID8794942
Molecular FormulaC23H27N2O2+
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Namedimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)COc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-25(2)21(14-18-8-4-3-5-9-18)16-24-23(26)17-27-22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15,21H,14,16-17H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1
InChIKeyGWYANYMYGVCJIL-NRFANRHFSA-O
XLogP2.09
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 90497330
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
CID 43003288
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-(2-ethylhexyl)-2-naphthalen-2-yloxyacetamide
CID 5172128
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-naphthalen-2-yloxyacetamide
CID 95986651
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium?
The IUPAC name of dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium (CID 8794942) is dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium?
The canonical SMILES for dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium is C[NH+](C)[C@H](CNC(=O)COc1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium?
The InChIKey is GWYANYMYGVCJIL-NRFANRHFSA-O. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)21(14-18-8-4-3-5-9-18)16-24-23(26)17-27-22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15,21H,14,16-17H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1.
What are the key properties of dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium?
dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium has a molecular weight of 363.48 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-1-[(2-naphthalen-2-yloxyacetyl)amino]-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 8794942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).