ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate

C16H18N2O2 — CID 60681847

IUPACethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-2-20-15(19)12-18-16(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,16,18H,2,12H2,1H3
InChIKeyXKTHJRFZMFUVMH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate

ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate (PubChem CID 60681847) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
PubChem CID60681847
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-2-20-15(19)12-18-16(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,16,18H,2,12H2,1H3
InChIKeyXKTHJRFZMFUVMH-UHFFFAOYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
CID 78825131
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate
CID 11021653
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410574
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate (CID 60681847) is ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate is CCOC(=O)CNC(c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate?
The InChIKey is XKTHJRFZMFUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15(19)12-18-16(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,16,18H,2,12H2,1H3.
What are the key properties of ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate?
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate has a molecular weight of 270.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60681847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).