2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C21H29N3O3 — CID 8622205

About 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8622205) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 8622205
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1cc(C)c(NC(=O)CN(C)CC(=O)N(C)Cc2ccc(C)o2)c(C)c1
• InChI: InChI=1S/C21H29N3O3/c1-14-9-15(2)21(16(3)10-14)22-19(25)12-23(5)13-20(26)24(6)11-18-8-7-17(4)27-18/h7-10H,11-13H2,1-6H3,(H,22,25)
• InChIKey: BJTYPRWGLSEBKL-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8622205) is 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)N(C)Cc2ccc(C)o2)c(C)c1.

What is the InChIKey of 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is BJTYPRWGLSEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-9-15(2)21(16(3)10-14)22-19(25)12-23(5)13-20(26)24(6)11-18-8-7-17(4)27-18/h7-10H,11-13H2,1-6H3,(H,22,25).

What are the key properties of 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?

2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).