methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate

C25H30N2O5 — CID 93117383

About methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate

methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate (PubChem CID 93117383) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
• PubChem CID: 93117383
• Molecular Formula: C25H30N2O5
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.22
• IUPAC Name: methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
• SMILES: COC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccco1
• InChI: InChI=1S/C25H30N2O5/c1-19-11-12-23(32-19)17-26(14-13-21-8-5-4-6-9-21)24(28)18-27(20(2)25(29)30-3)16-22-10-7-15-31-22/h4-12,15,20H,13-14,16-18H2,1-3H3/t20-/m1/s1
• InChIKey: LJFGPGMJVBPXMK-HXUWFJFHSA-N
• XLogP: 3.82
• TPSA: 76.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate?

The IUPAC name of methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate (CID 93117383) is methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate.

What is the SMILES notation for methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate?

The canonical SMILES for methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate is COC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccco1.

What is the InChIKey of methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate?

The InChIKey is LJFGPGMJVBPXMK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-19-11-12-23(32-19)17-26(14-13-21-8-5-4-6-9-21)24(28)18-27(20(2)25(29)30-3)16-22-10-7-15-31-22/h4-12,15,20H,13-14,16-18H2,1-3H3/t20-/m1/s1.

What are the key properties of methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate?

methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate has a molecular weight of 438.52 g/mol, XLogP of 3.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 93117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).