2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide

C34H39N3O5 — CID 144523901

About 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide

2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 144523901) has the molecular formula C34H39N3O5 and a molecular weight of 569.70 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide
• PubChem CID: 144523901
• Molecular Formula: C34H39N3O5
• Molecular Weight: 569.70 g/mol
• Exact Mass: 569.29
• IUPAC Name: 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide
• SMILES: CC1=C(C(OCC(C)(C)N)c2cc3ccc(CC(=O)NC(c4ccccc4)c4ccc(O)cc4C)cc3o2)C(C)NO1
• InChI: InChI=1S/C34H39N3O5/c1-20-15-26(38)13-14-27(20)32(24-9-7-6-8-10-24)36-30(39)17-23-11-12-25-18-29(41-28(25)16-23)33(40-19-34(4,5)35)31-21(2)37-42-22(31)3/h6-16,18,21,32-33,37-38H,17,19,35H2,1-5H3,(H,36,39)
• InChIKey: IIQVIAJLJDAGAF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 118.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.70
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide?

The IUPAC name of 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide (CID 144523901) is 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide.

What is the SMILES notation for 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide?

The canonical SMILES for 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide is CC1=C(C(OCC(C)(C)N)c2cc3ccc(CC(=O)NC(c4ccccc4)c4ccc(O)cc4C)cc3o2)C(C)NO1.

What is the InChIKey of 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide?

The InChIKey is IIQVIAJLJDAGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O5/c1-20-15-26(38)13-14-27(20)32(24-9-7-6-8-10-24)36-30(39)17-23-11-12-25-18-29(41-28(25)16-23)33(40-19-34(4,5)35)31-21(2)37-42-22(31)3/h6-16,18,21,32-33,37-38H,17,19,35H2,1-5H3,(H,36,39).

What are the key properties of 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide?

2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 569.70 g/mol, XLogP of 5.89, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 144523901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).