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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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736
2-[2-[(R)-(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 171370077
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide
CID 71247059
2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 71246894
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
N-[(S)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 129432320
2-[2-[1-(3-fluoro-4-pyridinyl)-1-hydroxyethyl]-1-benzofuran-5-yl]-N-[(4-methoxy-2-methylphenyl)-phenylmethyl]acetamide
CID 71247390
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 78046380
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
CID 95616819
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291

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).