1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C19H24N2O4 — CID 97225198

About 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 97225198) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
• PubChem CID: 97225198
• Molecular Formula: C19H24N2O4
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.17
• IUPAC Name: 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
• SMILES: Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H](C)C[C@H](O)c1ccco1
• InChI: InChI=1S/C19H24N2O4/c1-11-6-7-14-15(10-25-18(14)13(11)3)21-19(23)20-12(2)9-16(22)17-5-4-8-24-17/h4-8,12,15-16,22H,9-10H2,1-3H3,(H2,20,21,23)/t12-,15-,16-/m0/s1
• InChIKey: TZBUEGBRMNCTOI-RCBQFDQVSA-N
• XLogP: 3.14
• TPSA: 83.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?

The IUPAC name of 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 97225198) is 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

What is the SMILES notation for 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?

The canonical SMILES for 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H](C)C[C@H](O)c1ccco1.

What is the InChIKey of 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?

The InChIKey is TZBUEGBRMNCTOI-RCBQFDQVSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11-6-7-14-15(10-25-18(14)13(11)3)21-19(23)20-12(2)9-16(22)17-5-4-8-24-17/h4-8,12,15-16,22H,9-10H2,1-3H3,(H2,20,21,23)/t12-,15-,16-/m0/s1.

What are the key properties of 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?

1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 344.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 97225198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).