(2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C23H34N2O4 — CID 93162329

About (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93162329) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 93162329
• Molecular Formula: C23H34N2O4
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.25
• IUPAC Name: (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)c(C)c1
• InChI: InChI=1S/C23H34N2O4/c1-19-5-6-21(20(2)14-19)15-25(8-7-24-9-12-27-13-10-24)16-22(26)17-28-18-23-4-3-11-29-23/h3-6,11,14,22,26H,7-10,12-13,15-18H2,1-2H3/t22-/m0/s1
• InChIKey: QXUNAOORYKABSS-QFIPXVFZSA-N
• XLogP: 2.61
• TPSA: 58.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93162329) is (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)c(C)c1.

What is the InChIKey of (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is QXUNAOORYKABSS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-19-5-6-21(20(2)14-19)15-25(8-7-24-9-12-27-13-10-24)16-22(26)17-28-18-23-4-3-11-29-23/h3-6,11,14,22,26H,7-10,12-13,15-18H2,1-2H3/t22-/m0/s1.

What are the key properties of (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 402.54 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93162329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).