tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate

C42H78N6O15 — CID 23626027

About tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 23626027) has the molecular formula C42H78N6O15 and a molecular weight of 907.11 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 23626027
• Molecular Formula: C42H78N6O15
• Molecular Weight: 907.11 g/mol
• Exact Mass: 906.55
• IUPAC Name: tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1CC(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CC(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C42H78N6O15/c1-40(2,3)61-37(52)46-13-19-58-25-22-55-16-10-43-34(49)31-28-32(35(50)44-11-17-56-23-26-59-20-14-47-38(53)62-41(4,5)6)30-33(29-31)36(51)45-12-18-57-24-27-60-21-15-48-39(54)63-42(7,8)9/h31-33H,10-30H2,1-9H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,54)
• InChIKey: SVHBAYHQOLUYFM-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 257.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.11
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	6
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 tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 23626027) is tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1CC(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CC(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is SVHBAYHQOLUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78N6O15/c1-40(2,3)61-37(52)46-13-19-58-25-22-55-16-10-43-34(49)31-28-32(35(50)44-11-17-56-23-26-59-20-14-47-38(53)62-41(4,5)6)30-33(29-31)36(51)45-12-18-57-24-27-60-21-15-48-39(54)63-42(7,8)9/h31-33H,10-30H2,1-9H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,54).

What are the key properties of tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 907.11 g/mol, XLogP of 2.04, 30 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 23626027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).