2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

C27H30N2O4 — CID 142265016

IUPAC2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCN1CC=CC=C1CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C27H30N2O4/c1-26(2,20-9-5-4-6-10-20)18-27(32,16-22-11-7-8-14-29(22)3)25(31)28-21-12-13-23-19(15-21)17-33-24(23)30/h4-13,15,32H,14,16-18H2,1-3H3,(H,28,31)
InChIKeyGMPVALFDXJONFP-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.17
Rot. Bonds7

About 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (PubChem CID 142265016) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
PubChem CID142265016
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCN1CC=CC=C1CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C27H30N2O4/c1-26(2,20-9-5-4-6-10-20)18-27(32,16-22-11-7-8-14-29(22)3)25(31)28-21-12-13-23-19(15-21)17-33-24(23)30/h4-13,15,32H,14,16-18H2,1-3H3,(H,28,31)
InChIKeyGMPVALFDXJONFP-UHFFFAOYSA-N
XLogP4.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The IUPAC name of 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (CID 142265016) is 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is CN1CC=CC=C1CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The InChIKey is GMPVALFDXJONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-26(2,20-9-5-4-6-10-20)18-27(32,16-22-11-7-8-14-29(22)3)25(31)28-21-12-13-23-19(15-21)17-33-24(23)30/h4-13,15,32H,14,16-18H2,1-3H3,(H,28,31).
What are the key properties of 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide has a molecular weight of 446.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is sourced from PubChem (CID 142265016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).