methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate

C21H21NO2 — CID 140505249

IUPACmethyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
SMILESCOC(=O)CNC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-24-21(23)15-22-20(14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20,22H,14-15H2,1H3
InChIKeyYNNJFFIBWVTHDX-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.89
Rot. Bonds6

About methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate

methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate (PubChem CID 140505249) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
PubChem CID140505249
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemethyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
SMILESCOC(=O)CNC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-24-21(23)15-22-20(14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20,22H,14-15H2,1H3
InChIKeyYNNJFFIBWVTHDX-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54608356
1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
CID 59012228
tert-butyl (3R)-3-(benzylamino)-3-naphthalen-1-ylpropanoate
CID 101235687
methyl 3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 3770582
methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 40632655
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
CID 101161983
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
CID 101211100
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate?
The IUPAC name of methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate (CID 140505249) is methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate is COC(=O)CNC(Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate?
The InChIKey is YNNJFFIBWVTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-21(23)15-22-20(14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20,22H,14-15H2,1H3.
What are the key properties of methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate?
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate has a molecular weight of 319.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate is sourced from PubChem (CID 140505249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).