ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate

C17H21NO3 — CID 103602127

IUPACethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(C)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-4-20-17(19)16(14-8-6-5-7-9-14)18-13(3)15-11-10-12(2)21-15/h5-11,13,16,18H,4H2,1-3H3
InChIKeyHQJKZHLSUAJOGJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.54
Rot. Bonds6

About ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate

ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate (PubChem CID 103602127) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
PubChem CID103602127
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(C)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-4-20-17(19)16(14-8-6-5-7-9-14)18-13(3)15-11-10-12(2)21-15/h5-11,13,16,18H,4H2,1-3H3
InChIKeyHQJKZHLSUAJOGJ-UHFFFAOYSA-N
XLogP3.54
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.54
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-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
CID 103950866
ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
CID 103952156
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
CID 86789547
ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
CID 11096752
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate (CID 103602127) is ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate is CCOC(=O)C(NC(C)c1ccc(C)o1)c1ccccc1.
What is the InChIKey of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate?
The InChIKey is HQJKZHLSUAJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-20-17(19)16(14-8-6-5-7-9-14)18-13(3)15-11-10-12(2)21-15/h5-11,13,16,18H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate?
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate has a molecular weight of 287.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate is sourced from PubChem (CID 103602127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).