[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C18H20N2O5 — CID 2399608

IUPAC[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H20N2O5/c1-20(2)16(21)12-25-18(23)14(11-13-7-4-3-5-8-13)19-17(22)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyHWQNXDMHBPXKLI-AWEZNQCLSA-N
MW344.37 g/mol
LogP1.25
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 2399608) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID2399608
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H20N2O5/c1-20(2)16(21)12-25-18(23)14(11-13-7-4-3-5-8-13)19-17(22)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyHWQNXDMHBPXKLI-AWEZNQCLSA-N
XLogP1.25
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 2399608) is [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is CN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is HWQNXDMHBPXKLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-20(2)16(21)12-25-18(23)14(11-13-7-4-3-5-8-13)19-17(22)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 344.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 2399608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).