ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate

C16H19NO3 — CID 106677258

IUPACethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(N[C@@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-19-16(18)15(13-8-5-4-6-9-13)17-12(2)14-10-7-11-20-14/h4-12,15,17H,3H2,1-2H3/t12-,15?/m0/s1
InChIKeyXFDAMFFNYCLVFZ-SFVWDYPZSA-N
MW273.33 g/mol
LogP3.23
Rot. Bonds6

About ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate

ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate (PubChem CID 106677258) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
PubChem CID106677258
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(N[C@@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-19-16(18)15(13-8-5-4-6-9-13)17-12(2)14-10-7-11-20-14/h4-12,15,17H,3H2,1-2H3/t12-,15?/m0/s1
InChIKeyXFDAMFFNYCLVFZ-SFVWDYPZSA-N
XLogP3.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756
ethyl 2-acetamido-2-(furan-2-yl)acetate
CID 14212852
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate (CID 106677258) is ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate is CCOC(=O)C(N[C@@H](C)c1ccco1)c1ccccc1.
What is the InChIKey of ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate?
The InChIKey is XFDAMFFNYCLVFZ-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-19-16(18)15(13-8-5-4-6-9-13)17-12(2)14-10-7-11-20-14/h4-12,15,17H,3H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate?
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate has a molecular weight of 273.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate is sourced from PubChem (CID 106677258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).