benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate

C40H70N6O14 — CID 10941903

About benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate

benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 10941903) has the molecular formula C40H70N6O14 and a molecular weight of 859.03 g/mol. Its IUPAC name is benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 10941903
• Molecular Formula: C40H70N6O14
• Molecular Weight: 859.03 g/mol
• Exact Mass: 858.50
• IUPAC Name: benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN(CCOCCOCCNC(=O)OCc1ccccc1)CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C40H70N6O14/c1-39(2,3)59-37(50)44-15-21-55-26-24-52-18-12-41-34(47)30-46(17-23-57-29-28-54-20-14-43-36(49)58-32-33-10-8-7-9-11-33)31-35(48)42-13-19-53-25-27-56-22-16-45-38(51)60-40(4,5)6/h7-11H,12-32H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)(H,45,51)
• InChIKey: FAWNNFISXOOEKE-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 231.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.03
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 10941903) is benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN(CCOCCOCCNC(=O)OCc1ccccc1)CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C.

What is the InChIKey of benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is FAWNNFISXOOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70N6O14/c1-39(2,3)59-37(50)44-15-21-55-26-24-52-18-12-41-34(47)30-46(17-23-57-29-28-54-20-14-43-36(49)58-32-33-10-8-7-9-11-33)31-35(48)42-13-19-53-25-27-56-22-16-45-38(51)60-40(4,5)6/h7-11H,12-32H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)(H,45,51).

What are the key properties of benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate?

benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 859.03 g/mol, XLogP of 1.60, 33 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 10941903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).