2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide

C26H25NO4 — CID 123697945

IUPAC2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)O)cc2c1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-17(28)24-16-20-14-18(12-13-22(20)31-24)15-25(29)27-26(19-8-4-3-5-9-19)21-10-6-7-11-23(21)30-2/h3-14,16-17,26,28H,15H2,1-2H3,(H,27,29)
InChIKeyAXZLRXNLKRXWGK-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.94
Rot. Bonds7

About 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide

2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 123697945) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID123697945
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)O)cc2c1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-17(28)24-16-20-14-18(12-13-22(20)31-24)15-25(29)27-26(19-8-4-3-5-9-19)21-10-6-7-11-23(21)30-2/h3-14,16-17,26,28H,15H2,1-2H3,(H,27,29)
InChIKeyAXZLRXNLKRXWGK-UHFFFAOYSA-N
XLogP4.94
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide (CID 123697945) is 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide is COc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)O)cc2c1)c1ccccc1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is AXZLRXNLKRXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-17(28)24-16-20-14-18(12-13-22(20)31-24)15-25(29)27-26(19-8-4-3-5-9-19)21-10-6-7-11-23(21)30-2/h3-14,16-17,26,28H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide?
2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 123697945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).