2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide

C26H25NO4 — CID 10173217

IUPAC2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-25(2,19-9-5-3-6-10-19)17-26(30,20-11-7-4-8-12-20)24(29)27-21-13-14-22-18(15-21)16-31-23(22)28/h3-15,30H,16-17H2,1-2H3,(H,27,29)
InChIKeyHQVKFEYATUGVGI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.55
Rot. Bonds6

About 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide

2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide (PubChem CID 10173217) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide
PubChem CID10173217
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-25(2,19-9-5-3-6-10-19)17-26(30,20-11-7-4-8-12-20)24(29)27-21-13-14-22-18(15-21)16-31-23(22)28/h3-15,30H,16-17H2,1-2H3,(H,27,29)
InChIKeyHQVKFEYATUGVGI-UHFFFAOYSA-N
XLogP4.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Ethoxycarbonylphenyl)phthalamic acid
CID 4103042
2-{[(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)amino]carbonyl}benzoic acid
CID 2810938
adamantanyl-N-(1-oxo(3-hydroisobenzofuran-5-yl))carboxamide
CID 4664941
2-[[3-[(4-Pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 3110120
2-(1-{2-Oxo-2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]ethyl}cyclohexyl)acetic acid
CID 2738335
N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)cyclohexanecarboxamide
CID 653171
2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 9888873
2-benzyl-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide
CID 10127593
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-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10173525

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide (CID 10173217) is 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide is CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide?
The InChIKey is HQVKFEYATUGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-25(2,19-9-5-3-6-10-19)17-26(30,20-11-7-4-8-12-20)24(29)27-21-13-14-22-18(15-21)16-31-23(22)28/h3-15,30H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide?
2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide has a molecular weight of 415.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2,4-diphenylpentanamide is sourced from PubChem (CID 10173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).