2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

C27H27NO5 — CID 10173659

IUPAC2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1cccc(O)c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C27H27NO5/c1-26(2,20-8-4-3-5-9-20)17-27(32,15-18-7-6-10-22(29)13-18)25(31)28-21-11-12-23-19(14-21)16-33-24(23)30/h3-14,29,32H,15-17H2,1-2H3,(H,28,31)
InChIKeyIHUHWAUMFFURSJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.34
Rot. Bonds7

About 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (PubChem CID 10173659) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.

Molecular Properties

Compound Name2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
PubChem CID10173659
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Name2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1cccc(O)c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C27H27NO5/c1-26(2,20-8-4-3-5-9-20)17-27(32,15-18-7-6-10-22(29)13-18)25(31)28-21-11-12-23-19(14-21)16-33-24(23)30/h3-14,29,32H,15-17H2,1-2H3,(H,28,31)
InChIKeyIHUHWAUMFFURSJ-UHFFFAOYSA-N
XLogP4.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 713160
4-({[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)benzoic acid
CID 1307706
2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 9888873
2-Biphenyl-4-ylmethyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10128352
2-Hydroxy-2-(2-hydroxy-benzyl)-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10151473
2-Hydroxy-4-methyl-2-naphthalen-2-ylmethyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10152035
2-Hydroxy-4-methyl-2,4-diphenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10173217
2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10173525
2-Hydroxy-4-methyl-2-phenethyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10173634
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10174141
2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10195783
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10217420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The IUPAC name of 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (CID 10173659) is 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.
What is the SMILES notation for 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The canonical SMILES for 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is CC(C)(CC(O)(Cc1cccc(O)c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The InChIKey is IHUHWAUMFFURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c1-26(2,20-8-4-3-5-9-20)17-27(32,15-18-7-6-10-22(29)13-18)25(31)28-21-11-12-23-19(14-21)16-33-24(23)30/h3-14,29,32H,15-17H2,1-2H3,(H,28,31).
What are the key properties of 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide has a molecular weight of 445.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is sourced from PubChem (CID 10173659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).