ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate

C16H19NO3 — CID 23332336

IUPACethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(CNCc1ccco1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-19-16(18)15(13-7-4-3-5-8-13)12-17-11-14-9-6-10-20-14/h3-10,15,17H,2,11-12H2,1H3
InChIKeyMDVBQOOLCPGMPN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.72
Rot. Bonds7

About ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate

ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate (PubChem CID 23332336) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
PubChem CID23332336
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(CNCc1ccco1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-19-16(18)15(13-7-4-3-5-8-13)12-17-11-14-9-6-10-20-14/h3-10,15,17H,2,11-12H2,1H3
InChIKeyMDVBQOOLCPGMPN-UHFFFAOYSA-N
XLogP2.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 2-phenylbutanoate;sulfane
CID 174662373
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
ethyl 3-(4-methylanilino)-2-phenylpropanoate
CID 3694385
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
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 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
CID 2923338

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate?
The IUPAC name of ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate (CID 23332336) is ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate?
The canonical SMILES for ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate is CCOC(=O)C(CNCc1ccco1)c1ccccc1.
What is the InChIKey of ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate?
The InChIKey is MDVBQOOLCPGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-16(18)15(13-7-4-3-5-8-13)12-17-11-14-9-6-10-20-14/h3-10,15,17H,2,11-12H2,1H3.
What are the key properties of ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate?
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate has a molecular weight of 273.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate is sourced from PubChem (CID 23332336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).