7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

C22H22N2O5 — CID 58055587

IUPAC7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC3CCCc4cc(C(=O)NO)ccc43)oc12
InChIInChI=1S/C22H22N2O5/c1-2-28-18-8-4-6-14-12-19(29-20(14)18)22(26)23-17-7-3-5-13-11-15(21(25)24-27)9-10-16(13)17/h4,6,8-12,17,27H,2-3,5,7H2,1H3,(H,23,26)(H,24,25)
InChIKeyNTTAWMZUBCUHON-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.76
Rot. Bonds5

About 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 58055587) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
PubChem CID58055587
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC3CCCc4cc(C(=O)NO)ccc43)oc12
InChIInChI=1S/C22H22N2O5/c1-2-28-18-8-4-6-14-12-19(29-20(14)18)22(26)23-17-7-3-5-13-11-15(21(25)24-27)9-10-16(13)17/h4,6,8-12,17,27H,2-3,5,7H2,1H3,(H,23,26)(H,24,25)
InChIKeyNTTAWMZUBCUHON-UHFFFAOYSA-N
XLogP3.76
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (CID 58055587) is 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)NC3CCCc4cc(C(=O)NO)ccc43)oc12.
What is the InChIKey of 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is NTTAWMZUBCUHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-28-18-8-4-6-14-12-19(29-20(14)18)22(26)23-17-7-3-5-13-11-15(21(25)24-27)9-10-16(13)17/h4,6,8-12,17,27H,2-3,5,7H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58055587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).