[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate

C22H20N2O5 — CID 46666523

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H20N2O5/c25-19(23-14-18-12-7-13-28-18)15-29-22(27)20(16-8-3-1-4-9-16)24-21(26)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,23,25)(H,24,26)
InChIKeyYGMLSCGPOSQOFQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.61
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 46666523) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID46666523
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H20N2O5/c25-19(23-14-18-12-7-13-28-18)15-29-22(27)20(16-8-3-1-4-9-16)24-21(26)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,23,25)(H,24,26)
InChIKeyYGMLSCGPOSQOFQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 46666523) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is YGMLSCGPOSQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-19(23-14-18-12-7-13-28-18)15-29-22(27)20(16-8-3-1-4-9-16)24-21(26)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,23,25)(H,24,26).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 392.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 46666523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).