ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate

C22H23NO4 — CID 53342756

IUPACethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C22H23NO4/c1-2-26-22(25)20(21(24)18-14-9-15-27-18)23-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19-21,23-24H,2H2,1H3/t20-,21+/m1/s1
InChIKeyFDXOEFCDVGPXSA-RTWAWAEBSA-N
MW365.43 g/mol
LogP3.62
Rot. Bonds8

About ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate

ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate (PubChem CID 53342756) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
PubChem CID53342756
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C22H23NO4/c1-2-26-22(25)20(21(24)18-14-9-15-27-18)23-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19-21,23-24H,2H2,1H3/t20-,21+/m1/s1
InChIKeyFDXOEFCDVGPXSA-RTWAWAEBSA-N
XLogP3.62
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate?
The IUPAC name of ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate (CID 53342756) is ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate?
The canonical SMILES for ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate is CCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccco1.
What is the InChIKey of ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate?
The InChIKey is FDXOEFCDVGPXSA-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-26-22(25)20(21(24)18-14-9-15-27-18)23-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19-21,23-24H,2H2,1H3/t20-,21+/m1/s1.
What are the key properties of ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate?
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate has a molecular weight of 365.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate is sourced from PubChem (CID 53342756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).