2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

C31H29NO4 — CID 10152035

IUPAC2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C31H29NO4/c1-30(2,25-10-4-3-5-11-25)20-31(35,18-21-12-13-22-8-6-7-9-23(22)16-21)29(34)32-26-14-15-27-24(17-26)19-36-28(27)33/h3-17,35H,18-20H2,1-2H3,(H,32,34)
InChIKeyUKLYTFISJSJGSO-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.79
Rot. Bonds7

About 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide

2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (PubChem CID 10152035) has the molecular formula C31H29NO4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
PubChem CID10152035
Molecular FormulaC31H29NO4
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Name2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1
InChIInChI=1S/C31H29NO4/c1-30(2,25-10-4-3-5-11-25)20-31(35,18-21-12-13-22-8-6-7-9-23(22)16-21)29(34)32-26-14-15-27-24(17-26)19-36-28(27)33/h3-17,35H,18-20H2,1-2H3,(H,32,34)
InChIKeyUKLYTFISJSJGSO-UHFFFAOYSA-N
XLogP5.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The IUPAC name of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide (CID 10152035) is 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is CC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
The InChIKey is UKLYTFISJSJGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO4/c1-30(2,25-10-4-3-5-11-25)20-31(35,18-21-12-13-22-8-6-7-9-23(22)16-21)29(34)32-26-14-15-27-24(17-26)19-36-28(27)33/h3-17,35H,18-20H2,1-2H3,(H,32,34).
What are the key properties of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide?
2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide has a molecular weight of 479.58 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide is sourced from PubChem (CID 10152035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).