(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C18H27NO4 — CID 93161795

About (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 93161795) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• PubChem CID: 93161795
• Molecular Formula: C18H27NO4
• Molecular Weight: 321.42 g/mol
• Exact Mass: 321.19
• IUPAC Name: (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
• SMILES: Cc1ccc(CN(Cc2ccco2)C[C@H](O)COC(C)(C)C)o1
• InChI: InChI=1S/C18H27NO4/c1-14-7-8-17(23-14)12-19(11-16-6-5-9-21-16)10-15(20)13-22-18(2,3)4/h5-9,15,20H,10-13H2,1-4H3/t15-/m0/s1
• InChIKey: QGXZVLLIAMIBKT-HNNXBMFYSA-N
• XLogP: 3.36
• TPSA: 58.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.42
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The IUPAC name of (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 93161795) is (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

What is the SMILES notation for (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The canonical SMILES for (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is Cc1ccc(CN(Cc2ccco2)C[C@H](O)COC(C)(C)C)o1.

What is the InChIKey of (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

The InChIKey is QGXZVLLIAMIBKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-14-7-8-17(23-14)12-19(11-16-6-5-9-21-16)10-15(20)13-22-18(2,3)4/h5-9,15,20H,10-13H2,1-4H3/t15-/m0/s1.

What are the key properties of (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?

(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 321.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 93161795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).