N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide

C39H52N6O7 — CID 122386589

About N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide (PubChem CID 122386589) has the molecular formula C39H52N6O7 and a molecular weight of 716.88 g/mol. Its IUPAC name is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide
• PubChem CID: 122386589
• Molecular Formula: C39H52N6O7
• Molecular Weight: 716.88 g/mol
• Exact Mass: 716.39
• IUPAC Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide
• SMILES: COCCN(CC(=O)N(CCc1ccccc1)CC(=O)N(CCOC)CC(=O)N(CCc1ccccc1)CC(N)=O)C(=O)CNc1ccc(C)cc1
• InChI: InChI=1S/C39H52N6O7/c1-31-14-16-34(17-15-31)41-26-36(47)44(22-24-51-2)29-38(49)43(21-19-33-12-8-5-9-13-33)28-39(50)45(23-25-52-3)30-37(48)42(27-35(40)46)20-18-32-10-6-4-7-11-32/h4-17,41H,18-30H2,1-3H3,(H2,40,46)
• InChIKey: UDHQTYNFHFWXID-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 154.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	716.88
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide?

The IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide (CID 122386589) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide.

What is the SMILES notation for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide?

The canonical SMILES for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide is COCCN(CC(=O)N(CCc1ccccc1)CC(=O)N(CCOC)CC(=O)N(CCc1ccccc1)CC(N)=O)C(=O)CNc1ccc(C)cc1.

What is the InChIKey of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide?

The InChIKey is UDHQTYNFHFWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52N6O7/c1-31-14-16-34(17-15-31)41-26-36(47)44(22-24-51-2)29-38(49)43(21-19-33-12-8-5-9-13-33)28-39(50)45(23-25-52-3)30-37(48)42(27-35(40)46)20-18-32-10-6-4-7-11-32/h4-17,41H,18-30H2,1-3H3,(H2,40,46).

What are the key properties of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide?

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide has a molecular weight of 716.88 g/mol, XLogP of 1.98, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methylanilino)acetamide is sourced from PubChem (CID 122386589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).