(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C22H27NO6 — CID 93164559

About (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93164559) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 93164559
• Molecular Formula: C22H27NO6
• Molecular Weight: 401.46 g/mol
• Exact Mass: 401.18
• IUPAC Name: (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: COc1cccc(CN(Cc2ccco2)C[C@@H](O)COCc2ccco2)c1OC
• InChI: InChI=1S/C22H27NO6/c1-25-21-9-3-6-17(22(21)26-2)12-23(14-19-7-4-10-28-19)13-18(24)15-27-16-20-8-5-11-29-20/h3-11,18,24H,12-16H2,1-2H3/t18-/m1/s1
• InChIKey: IXPRIIDGDPERKC-GOSISDBHSA-N
• XLogP: 3.47
• TPSA: 77.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.46
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93164559) is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is COc1cccc(CN(Cc2ccco2)C[C@@H](O)COCc2ccco2)c1OC.

What is the InChIKey of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is IXPRIIDGDPERKC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27NO6/c1-25-21-9-3-6-17(22(21)26-2)12-23(14-19-7-4-10-28-19)13-18(24)15-27-16-20-8-5-11-29-20/h3-11,18,24H,12-16H2,1-2H3/t18-/m1/s1.

What are the key properties of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 401.46 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93164559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).