2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide

C31H28N2O3 — CID 71246894

IUPAC2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)(O)c3ccccn3)cc2c1)c1ccccc1
InChIInChI=1S/C31H28N2O3/c1-21-10-6-7-13-25(21)30(23-11-4-3-5-12-23)33-29(34)19-22-15-16-26-24(18-22)20-28(36-26)31(2,35)27-14-8-9-17-32-27/h3-18,20,30,35H,19H2,1-2H3,(H,33,34)
InChIKeyICJVGQQEDBMAFL-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.84
Rot. Bonds7

About 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide

2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 71246894) has the molecular formula C31H28N2O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID71246894
Molecular FormulaC31H28N2O3
Molecular Weight476.58 g/mol
Exact Mass476.21
IUPAC Name2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)(O)c3ccccn3)cc2c1)c1ccccc1
InChIInChI=1S/C31H28N2O3/c1-21-10-6-7-13-25(21)30(23-11-4-3-5-12-23)33-29(34)19-22-15-16-26-24(18-22)20-28(36-26)31(2,35)27-14-8-9-17-32-27/h3-18,20,30,35H,19H2,1-2H3,(H,33,34)
InChIKeyICJVGQQEDBMAFL-UHFFFAOYSA-N
XLogP5.84
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(3-fluoro-4-pyridinyl)-1-hydroxyethyl]-1-benzofuran-5-yl]-N-[(4-methoxy-2-methylphenyl)-phenylmethyl]acetamide
CID 71247390
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(1-hydroxy-1-pyridin-4-ylethyl)-1-benzofuran-6-yl]acetamide
CID 71247096
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-difluoromethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247492
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-[2-(1-hydroxyethyl)-1-benzofuran-5-yl]-N-[(2-methoxyphenyl)-phenylmethyl]acetamide
CID 123697945
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-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
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-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 78046380
2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide (CID 71246894) is 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1C(NC(=O)Cc1ccc2oc(C(C)(O)c3ccccn3)cc2c1)c1ccccc1.
What is the InChIKey of 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is ICJVGQQEDBMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O3/c1-21-10-6-7-13-25(21)30(23-11-4-3-5-12-23)33-29(34)19-22-15-16-26-24(18-22)20-28(36-26)31(2,35)27-14-8-9-17-32-27/h3-18,20,30,35H,19H2,1-2H3,(H,33,34).
What are the key properties of 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 476.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxy-1-pyridin-2-ylethyl)-1-benzofuran-5-yl]-N-[(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 71246894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).