2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide

C22H19NO3 — CID 90961463

IUPAC2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C22H19NO3/c1-2-19-21(18-8-3-4-9-20(18)26-19)22(25)23-13-15-7-5-6-14-12-16(24)10-11-17(14)15/h3-12,24H,2,13H2,1H3,(H,23,25)
InChIKeySCTAWPFCKKJFTM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.78
Rot. Bonds4

About 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide

2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 90961463) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
PubChem CID90961463
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C22H19NO3/c1-2-19-21(18-8-3-4-9-20(18)26-19)22(25)23-13-15-7-5-6-14-12-16(24)10-11-17(14)15/h3-12,24H,2,13H2,1H3,(H,23,25)
InChIKeySCTAWPFCKKJFTM-UHFFFAOYSA-N
XLogP4.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide (CID 90961463) is 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide is CCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12.
What is the InChIKey of 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is SCTAWPFCKKJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-19-21(18-8-3-4-9-20(18)26-19)22(25)23-13-15-7-5-6-14-12-16(24)10-11-17(14)15/h3-12,24H,2,13H2,1H3,(H,23,25).
What are the key properties of 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).