[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate

C18H19NO5 — CID 53322702

IUPAC[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)o1
InChIInChI=1S/C18H19NO5/c1-18(2,3)19-15(20)11-23-17(22)14-10-9-13(24-14)16(21)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyZEZXPQXVLNYNTA-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.58
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate (PubChem CID 53322702) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate
PubChem CID53322702
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)o1
InChIInChI=1S/C18H19NO5/c1-18(2,3)19-15(20)11-23-17(22)14-10-9-13(24-14)16(21)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyZEZXPQXVLNYNTA-UHFFFAOYSA-N
XLogP2.58
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate (CID 53322702) is [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate is CC(C)(C)NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)o1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate?
The InChIKey is ZEZXPQXVLNYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-18(2,3)19-15(20)11-23-17(22)14-10-9-13(24-14)16(21)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 5-benzoylfuran-2-carboxylate is sourced from PubChem (CID 53322702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).