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

C62H84N8O8 — CID 88927165

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

2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide (PubChem CID 88927165) has the molecular formula C62H84N8O8 and a molecular weight of 1069.40 g/mol. Its IUPAC name is 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide
• PubChem CID: 88927165
• Molecular Formula: C62H84N8O8
• Molecular Weight: 1069.40 g/mol
• Exact Mass: 1068.64
• IUPAC Name: 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide
• SMILES: CN[C@@H](C)C(=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@H](C)NC)C3CCCCC3)ccc2c1)C1CCCCC1
• InChI: InChI=1S/C62H84N8O8/c1-43(63-3)57(71)65-55(47-21-13-7-14-22-47)61(75)69-33-35-77-41-53(69)39-67(31-29-45-17-9-5-10-18-45)59(73)51-27-25-50-38-52(28-26-49(50)37-51)60(74)68(32-30-46-19-11-6-12-20-46)40-54-42-78-36-34-70(54)62(76)56(48-23-15-8-16-24-48)66-58(72)44(2)64-4/h5-6,9-12,17-20,25-28,37-38,43-44,47-48,53-56,63-64H,7-8,13-16,21-24,29-36,39-42H2,1-4H3,(H,65,71)(H,66,72)/t43-,44-,53+,54+,55-,56-/m0/s1
• InChIKey: BBBJWRCGYDOYJC-VWRBUWCESA-N
• XLogP: 6.01
• TPSA: 181.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.40
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide (CID 88927165) is 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide.

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

The canonical SMILES for 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide is CN[C@@H](C)C(=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@H](C)NC)C3CCCCC3)ccc2c1)C1CCCCC1.

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

The InChIKey is BBBJWRCGYDOYJC-VWRBUWCESA-N. The full InChI is InChI=1S/C62H84N8O8/c1-43(63-3)57(71)65-55(47-21-13-7-14-22-47)61(75)69-33-35-77-41-53(69)39-67(31-29-45-17-9-5-10-18-45)59(73)51-27-25-50-38-52(28-26-49(50)37-51)60(74)68(32-30-46-19-11-6-12-20-46)40-54-42-78-36-34-70(54)62(76)56(48-23-15-8-16-24-48)66-58(72)44(2)64-4/h5-6,9-12,17-20,25-28,37-38,43-44,47-48,53-56,63-64H,7-8,13-16,21-24,29-36,39-42H2,1-4H3,(H,65,71)(H,66,72)/t43-,44-,53+,54+,55-,56-/m0/s1.

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

2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide has a molecular weight of 1069.40 g/mol, XLogP of 6.01, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-bis[[(3R)-4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]morpholin-3-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 88927165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).