N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C30H38N4O4 — CID 3638124

About N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3638124) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 3638124
• Molecular Formula: C30H38N4O4
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.29
• IUPAC Name: N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: CCc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1
• InChI: InChI=1S/C30H38N4O4/c1-3-26-11-7-8-12-28(26)31-30(36)33(16-15-32-17-19-37-20-18-32)23-29(35)34(21-25-9-5-4-6-10-25)22-27-14-13-24(2)38-27/h4-14H,3,15-23H2,1-2H3,(H,31,36)
• InChIKey: FUXZQKRVSHKXDE-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The IUPAC name of N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3638124) is N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The canonical SMILES for N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is CCc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1.

What is the InChIKey of N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The InChIKey is FUXZQKRVSHKXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-3-26-11-7-8-12-28(26)31-30(36)33(16-15-32-17-19-37-20-18-32)23-29(35)34(21-25-9-5-4-6-10-25)22-27-14-13-24(2)38-27/h4-14H,3,15-23H2,1-2H3,(H,31,36).

What are the key properties of N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3638124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).