methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate

C32H43NO10 — CID 15344357

About methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate

methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate (PubChem CID 15344357) has the molecular formula C32H43NO10 and a molecular weight of 601.69 g/mol. Its IUPAC name is methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate.

Molecular Properties

• Compound Name: methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate
• PubChem CID: 15344357
• Molecular Formula: C32H43NO10
• Molecular Weight: 601.69 g/mol
• Exact Mass: 601.29
• IUPAC Name: methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate
• SMILES: COC(=O)C1(NC(=O)OC(C)(C)C)Cc2cccc3c2-c2c(cccc2OCCOCCOCCOCCOCCO3)C1
• InChI: InChI=1S/C32H43NO10/c1-31(2,3)43-30(35)33-32(29(34)36-4)21-23-7-5-9-25-27(23)28-24(22-32)8-6-10-26(28)42-20-18-40-16-14-38-12-11-37-13-15-39-17-19-41-25/h5-10H,11-22H2,1-4H3,(H,33,35)
• InChIKey: DBAWTGFXQFAMRS-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 120.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.69
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate?

The IUPAC name of methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate (CID 15344357) is methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate.

What is the SMILES notation for methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate?

The canonical SMILES for methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate is COC(=O)C1(NC(=O)OC(C)(C)C)Cc2cccc3c2-c2c(cccc2OCCOCCOCCOCCOCCO3)C1.

What is the InChIKey of methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate?

The InChIKey is DBAWTGFXQFAMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO10/c1-31(2,3)43-30(35)33-32(29(34)36-4)21-23-7-5-9-25-27(23)28-24(22-32)8-6-10-26(28)42-20-18-40-16-14-38-12-11-37-13-15-39-17-19-41-25/h5-10H,11-22H2,1-4H3,(H,33,35).

What are the key properties of methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate?

methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate has a molecular weight of 601.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 24-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5,8,11,14,17-hexaoxatetracyclo[16.11.2.022,31.026,30]hentriaconta-1(29),18,20,22(31),26(30),27-hexaene-24-carboxylate is sourced from PubChem (CID 15344357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).