6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide

C61H81N7O8 — CID 89121341

About 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide

6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide (PubChem CID 89121341) has the molecular formula C61H81N7O8 and a molecular weight of 1040.36 g/mol. Its IUPAC name is 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide
• PubChem CID: 89121341
• Molecular Formula: C61H81N7O8
• Molecular Weight: 1040.36 g/mol
• Exact Mass: 1039.61
• IUPAC Name: 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide
• SMILES: CNCC(=O)N[C@H](C(=O)N1CCOC[C@H]1CN(CCc1ccccc1)C(=O)c1ccc2cc(C(=O)N(CCc3ccccc3)C[C@@H]3COCCN3C(=O)[C@@H](NC(=O)C(C)C)C3CCCCC3)ccc2c1)C1CCCCC1
• InChI: InChI=1S/C61H81N7O8/c1-43(2)57(70)64-56(47-22-14-7-15-23-47)61(74)68-33-35-76-42-53(68)40-66(31-29-45-18-10-5-11-19-45)59(72)51-27-25-48-36-50(26-24-49(48)37-51)58(71)65(30-28-44-16-8-4-9-17-44)39-52-41-75-34-32-67(52)60(73)55(63-54(69)38-62-3)46-20-12-6-13-21-46/h4-5,8-11,16-19,24-27,36-37,43,46-47,52-53,55-56,62H,6-7,12-15,20-23,28-35,38-42H2,1-3H3,(H,63,69)(H,64,70)/t52-,53-,55+,56+/m1/s1
• InChIKey: XDBBNSRTYVDHGX-ZSQZUDKTSA-N
• XLogP: 6.67
• TPSA: 169.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.36
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide?

The IUPAC name of 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide (CID 89121341) is 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide.

What is the SMILES notation for 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide?

The canonical SMILES for 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide is CNCC(=O)N[C@H](C(=O)N1CCOC[C@H]1CN(CCc1ccccc1)C(=O)c1ccc2cc(C(=O)N(CCc3ccccc3)C[C@@H]3COCCN3C(=O)[C@@H](NC(=O)C(C)C)C3CCCCC3)ccc2c1)C1CCCCC1.

What is the InChIKey of 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide?

The InChIKey is XDBBNSRTYVDHGX-ZSQZUDKTSA-N. The full InChI is InChI=1S/C61H81N7O8/c1-43(2)57(70)64-56(47-22-14-7-15-23-47)61(74)68-33-35-76-42-53(68)40-66(31-29-45-18-10-5-11-19-45)59(72)51-27-25-48-36-50(26-24-49(48)37-51)58(71)65(30-28-44-16-8-4-9-17-44)39-52-41-75-34-32-67(52)60(73)55(63-54(69)38-62-3)46-20-12-6-13-21-46/h4-5,8-11,16-19,24-27,36-37,43,46-47,52-53,55-56,62H,6-7,12-15,20-23,28-35,38-42H2,1-3H3,(H,63,69)(H,64,70)/t52-,53-,55+,56+/m1/s1.

What are the key properties of 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide?

6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide has a molecular weight of 1040.36 g/mol, XLogP of 6.67, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]morpholin-3-yl]methyl]-2-N-[[(3R)-4-[(2S)-2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 89121341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).