tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate

C26H23NO5 — CID 91609775

IUPACtert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(Oc2ccc3occc3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23NO5/c1-26(2,3)32-25(29)21-11-9-20(31-19-10-12-23-18(15-19)13-14-30-23)16-22(21)27-24(28)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,27,28)
InChIKeyXVIGFHLAUDXKFP-UHFFFAOYSA-N
MW429.47 g/mol
LogP6.43
Rot. Bonds5

About tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate

tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate (PubChem CID 91609775) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate.

Molecular Properties

Compound Nametert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
PubChem CID91609775
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Nametert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(Oc2ccc3occc3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23NO5/c1-26(2,3)32-25(29)21-11-9-20(31-19-10-12-23-18(15-19)13-14-30-23)16-22(21)27-24(28)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,27,28)
InChIKeyXVIGFHLAUDXKFP-UHFFFAOYSA-N
XLogP6.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate?
The IUPAC name of tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate (CID 91609775) is tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate.
What is the SMILES notation for tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate?
The canonical SMILES for tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate is CC(C)(C)OC(=O)c1ccc(Oc2ccc3occc3c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate?
The InChIKey is XVIGFHLAUDXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-26(2,3)32-25(29)21-11-9-20(31-19-10-12-23-18(15-19)13-14-30-23)16-22(21)27-24(28)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,27,28).
What are the key properties of tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate?
tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate has a molecular weight of 429.47 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate is sourced from PubChem (CID 91609775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).