[1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid

C25H25NO3 — CID 68963634

About [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid

[1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid (PubChem CID 68963634) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid
• PubChem CID: 68963634
• Molecular Formula: C25H25NO3
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.18
• IUPAC Name: [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1ccccc1-c1cccc2c1OC(CC(Cc1ccccc1)NC(=O)O)C2
• InChI: InChI=1S/C25H25NO3/c1-17-8-5-6-12-22(17)23-13-7-11-19-15-21(29-24(19)23)16-20(26-25(27)28)14-18-9-3-2-4-10-18/h2-13,20-21,26H,14-16H2,1H3,(H,27,28)
• InChIKey: NBVLAAGFVAMLSI-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid (CID 68963634) is [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid is Cc1ccccc1-c1cccc2c1OC(CC(Cc1ccccc1)NC(=O)O)C2.

What is the InChIKey of [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid?

The InChIKey is NBVLAAGFVAMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-17-8-5-6-12-22(17)23-13-7-11-19-15-21(29-24(19)23)16-20(26-25(27)28)14-18-9-3-2-4-10-18/h2-13,20-21,26H,14-16H2,1H3,(H,27,28).

What are the key properties of [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid?

[1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 387.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68963634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).