1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C20H24N2O3 — CID 91650517

About 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 91650517) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
• PubChem CID: 91650517
• Molecular Formula: C20H24N2O3
• Molecular Weight: 340.42 g/mol
• Exact Mass: 340.18
• IUPAC Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
• SMILES: CC(NC(=O)N[C@H](CO)Cc1ccccc1)C1COc2ccccc21
• InChI: InChI=1S/C20H24N2O3/c1-14(18-13-25-19-10-6-5-9-17(18)19)21-20(24)22-16(12-23)11-15-7-3-2-4-8-15/h2-10,14,16,18,23H,11-13H2,1H3,(H2,21,22,24)/t14?,16-,18?/m0/s1
• InChIKey: OGXAPHTWWDLOTC-HQVVEAJESA-N
• XLogP: 2.45
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.42
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?

The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 91650517) is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?

The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is CC(NC(=O)N[C@H](CO)Cc1ccccc1)C1COc2ccccc21.

What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?

The InChIKey is OGXAPHTWWDLOTC-HQVVEAJESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(18-13-25-19-10-6-5-9-17(18)19)21-20(24)22-16(12-23)11-15-7-3-2-4-8-15/h2-10,14,16,18,23H,11-13H2,1H3,(H2,21,22,24)/t14?,16-,18?/m0/s1.

What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 340.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 91650517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).