(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide

C17H24N2O4 — CID 120785022

About (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide (PubChem CID 120785022) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide
• PubChem CID: 120785022
• Molecular Formula: C17H24N2O4
• Molecular Weight: 320.39 g/mol
• Exact Mass: 320.17
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)[C@@H]1CC[C@H](CN)O1)OC(C)C2
• InChI: InChI=1S/C17H24N2O4/c1-3-21-16-7-11-6-10(2)22-15(11)8-13(16)19-17(20)14-5-4-12(9-18)23-14/h7-8,10,12,14H,3-6,9,18H2,1-2H3,(H,19,20)/t10?,12-,14+/m1/s1
• InChIKey: XZFWFBKLQLHZHH-VOHIISRTSA-N
• XLogP: 1.85
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.39
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide (CID 120785022) is (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide is CCOc1cc2c(cc1NC(=O)[C@@H]1CC[C@H](CN)O1)OC(C)C2.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide?

The InChIKey is XZFWFBKLQLHZHH-VOHIISRTSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-21-16-7-11-6-10(2)22-15(11)8-13(16)19-17(20)14-5-4-12(9-18)23-14/h7-8,10,12,14H,3-6,9,18H2,1-2H3,(H,19,20)/t10?,12-,14+/m1/s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide?

(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120785022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).