2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide

C33H31NO4 — CID 10128352

IUPAC2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide
SMILESCC(C)(CC(O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C33H31NO4/c1-32(2,27-11-7-4-8-12-27)22-33(37,20-23-13-15-25(16-14-23)24-9-5-3-6-10-24)31(36)34-28-17-18-29-26(19-28)21-38-30(29)35/h3-19,37H,20-22H2,1-2H3,(H,34,36)
InChIKeyBVSCKUSMKCQTFI-UHFFFAOYSA-N
MW505.61 g/mol
LogP6.30
Rot. Bonds8

About 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide

2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide (PubChem CID 10128352) has the molecular formula C33H31NO4 and a molecular weight of 505.61 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide
PubChem CID10128352
Molecular FormulaC33H31NO4
Molecular Weight505.61 g/mol
Exact Mass505.23
IUPAC Name2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide
SMILESCC(C)(CC(O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C33H31NO4/c1-32(2,27-11-7-4-8-12-27)22-33(37,20-23-13-15-25(16-14-23)24-9-5-3-6-10-24)31(36)34-28-17-18-29-26(19-28)21-38-30(29)35/h3-19,37H,20-22H2,1-2H3,(H,34,36)
InChIKeyBVSCKUSMKCQTFI-UHFFFAOYSA-N
XLogP6.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.61
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 9888873
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
2-Hydroxy-2-(3-hydroxy-benzyl)-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 10173659
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10174141

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide (CID 10128352) is 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide is CC(C)(CC(O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide?
The InChIKey is BVSCKUSMKCQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO4/c1-32(2,27-11-7-4-8-12-27)22-33(37,20-23-13-15-25(16-14-23)24-9-5-3-6-10-24)31(36)34-28-17-18-29-26(19-28)21-38-30(29)35/h3-19,37H,20-22H2,1-2H3,(H,34,36).
What are the key properties of 2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide?
2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide has a molecular weight of 505.61 g/mol, XLogP of 6.30, 8 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)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanamide is sourced from PubChem (CID 10128352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).