(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C22H20N2O5 — CID 2645969

IUPAC(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-20(23-17-10-5-2-6-11-17)15-29-22(27)18(14-16-8-3-1-4-9-16)24-21(26)19-12-7-13-28-19/h1-13,18H,14-15H2,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyVKSLFMMQCIREDD-SFHVURJKSA-N
MW392.41 g/mol
LogP2.80
Rot. Bonds8

About (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 2645969) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID2645969
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-20(23-17-10-5-2-6-11-17)15-29-22(27)18(14-16-8-3-1-4-9-16)24-21(26)19-12-7-13-28-19/h1-13,18H,14-15H2,(H,23,25)(H,24,26)/t18-/m0/s1
InChIKeyVKSLFMMQCIREDD-SFHVURJKSA-N
XLogP2.80
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 2645969) is (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is VKSLFMMQCIREDD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-20(23-17-10-5-2-6-11-17)15-29-22(27)18(14-16-8-3-1-4-9-16)24-21(26)19-12-7-13-28-19/h1-13,18H,14-15H2,(H,23,25)(H,24,26)/t18-/m0/s1.
What are the key properties of (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 392.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 2645969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).