1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

C19H26N2O4 — CID 97221546

About 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 97221546) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
• PubChem CID: 97221546
• Molecular Formula: C19H26N2O4
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.19
• IUPAC Name: 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
• SMILES: COc1cccc2cc(CNC(=O)NC[C@@H]3CCO[C@H]3C(C)C)oc12
• InChI: InChI=1S/C19H26N2O4/c1-12(2)17-14(7-8-24-17)10-20-19(22)21-11-15-9-13-5-4-6-16(23-3)18(13)25-15/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3,(H2,20,21,22)/t14-,17-/m0/s1
• InChIKey: SOVUVQFZYQXRIO-YOEHRIQHSA-N
• XLogP: 3.30
• TPSA: 72.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?

The IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 97221546) is 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.

What is the SMILES notation for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?

The canonical SMILES for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is COc1cccc2cc(CNC(=O)NC[C@@H]3CCO[C@H]3C(C)C)oc12.

What is the InChIKey of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?

The InChIKey is SOVUVQFZYQXRIO-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)17-14(7-8-24-17)10-20-19(22)21-11-15-9-13-5-4-6-16(23-3)18(13)25-15/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3,(H2,20,21,22)/t14-,17-/m0/s1.

What are the key properties of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?

1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 97221546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).