furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate

C17H21NO3 — CID 97262289

IUPACfuran-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)[C@H](C(=O)OCc1ccoc1)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-3-18(4-2)16(15-8-6-5-7-9-15)17(19)21-13-14-10-11-20-12-14/h5-12,16H,3-4,13H2,1-2H3/t16-/m0/s1
InChIKeyZCLOJQCWRXPEMV-INIZCTEOSA-N
MW287.36 g/mol
LogP3.41
Rot. Bonds7

About furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate

furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate (PubChem CID 97262289) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate.

Molecular Properties

Compound Namefuran-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
PubChem CID97262289
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namefuran-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)[C@H](C(=O)OCc1ccoc1)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-3-18(4-2)16(15-8-6-5-7-9-15)17(19)21-13-14-10-11-20-12-14/h5-12,16H,3-4,13H2,1-2H3/t16-/m0/s1
InChIKeyZCLOJQCWRXPEMV-INIZCTEOSA-N
XLogP3.41
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
CID 138045782
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
CID 16393
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
furan-3-ylmethyl N-propan-2-ylcarbamate
CID 58805073
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate?
The IUPAC name of furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate (CID 97262289) is furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate.
What is the SMILES notation for furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate?
The canonical SMILES for furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate is CCN(CC)[C@H](C(=O)OCc1ccoc1)c1ccccc1.
What is the InChIKey of furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate?
The InChIKey is ZCLOJQCWRXPEMV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-18(4-2)16(15-8-6-5-7-9-15)17(19)21-13-14-10-11-20-12-14/h5-12,16H,3-4,13H2,1-2H3/t16-/m0/s1.
What are the key properties of furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate?
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate has a molecular weight of 287.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate is sourced from PubChem (CID 97262289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).