ethyl 2-(1-naphthalen-2-ylethylamino)acetate

C16H19NO2 — CID 60680493

IUPACethyl 2-(1-naphthalen-2-ylethylamino)acetate
SMILESCCOC(=O)CNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,17H,3,11H2,1-2H3
InChIKeySBPMOEYMEPGHRQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-(1-naphthalen-2-ylethylamino)acetate

ethyl 2-(1-naphthalen-2-ylethylamino)acetate (PubChem CID 60680493) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-(1-naphthalen-2-ylethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-naphthalen-2-ylethylamino)acetate
PubChem CID60680493
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl 2-(1-naphthalen-2-ylethylamino)acetate
SMILESCCOC(=O)CNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,17H,3,11H2,1-2H3
InChIKeySBPMOEYMEPGHRQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-naphthalen-2-ylethylamino)acetate?
The IUPAC name of ethyl 2-(1-naphthalen-2-ylethylamino)acetate (CID 60680493) is ethyl 2-(1-naphthalen-2-ylethylamino)acetate.
What is the SMILES notation for ethyl 2-(1-naphthalen-2-ylethylamino)acetate?
The canonical SMILES for ethyl 2-(1-naphthalen-2-ylethylamino)acetate is CCOC(=O)CNC(C)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(1-naphthalen-2-ylethylamino)acetate?
The InChIKey is SBPMOEYMEPGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(1-naphthalen-2-ylethylamino)acetate?
ethyl 2-(1-naphthalen-2-ylethylamino)acetate has a molecular weight of 257.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-naphthalen-2-ylethylamino)acetate is sourced from PubChem (CID 60680493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).