tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C48H73N5O13 — CID 138695565

About tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 138695565) has the molecular formula C48H73N5O13 and a molecular weight of 928.13 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 138695565
• Molecular Formula: C48H73N5O13
• Molecular Weight: 928.13 g/mol
• Exact Mass: 927.52
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CNC(=O)OC(C)C(=O)NC(C(=O)N1Cc2cc(OCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
• InChI: InChI=1S/C48H73N5O13/c1-33(65-45(57)49-8)42(54)52-41(47(2,3)4)44(56)53-32-36-30-37(17-16-35(36)31-40(53)43(55)51-39-15-11-13-34-12-9-10-14-38(34)39)64-29-28-63-27-26-62-25-24-61-23-22-60-21-20-59-19-18-50-46(58)66-48(5,6)7/h9-10,12,14,16-17,30,33,39-41H,11,13,15,18-29,31-32H2,1-8H3,(H,49,57)(H,50,58)(H,51,55)(H,52,54)/t33?,39-,40+,41?/m1/s1
• InChIKey: ILUIADCHSOUUFL-PNSQXEBKSA-N
• XLogP: 4.40
• TPSA: 210.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.13
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 138695565) is tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CNC(=O)OC(C)C(=O)NC(C(=O)N1Cc2cc(OCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is ILUIADCHSOUUFL-PNSQXEBKSA-N. The full InChI is InChI=1S/C48H73N5O13/c1-33(65-45(57)49-8)42(54)52-41(47(2,3)4)44(56)53-32-36-30-37(17-16-35(36)31-40(53)43(55)51-39-15-11-13-34-12-9-10-14-38(34)39)64-29-28-63-27-26-62-25-24-61-23-22-60-21-20-59-19-18-50-46(58)66-48(5,6)7/h9-10,12,14,16-17,30,33,39-41H,11,13,15,18-29,31-32H2,1-8H3,(H,49,57)(H,50,58)(H,51,55)(H,52,54)/t33?,39-,40+,41?/m1/s1.

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 928.13 g/mol, XLogP of 4.40, 25 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[2-[[(3S)-2-[3,3-dimethyl-2-[2-(methylcarbamoyloxy)propanoylamino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 138695565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).