N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride

C93H179BrClN7O27 — CID 157489841

About N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride

N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride (PubChem CID 157489841) has the molecular formula C93H179BrClN7O27 and a molecular weight of 1942.83 g/mol. Its IUPAC name is N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride.

Molecular Properties

• Compound Name: N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride
• PubChem CID: 157489841
• Molecular Formula: C93H179BrClN7O27
• Molecular Weight: 1942.83 g/mol
• Exact Mass: 1940.17
• IUPAC Name: N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride
• SMILES: C#CCOCCOCCOCCOCCC(=O)N(CCOCCC)CCOCCNC(=O)OC(C)(C)C.C#CCOCCOCCOCCOCCC(=O)N(CCOCCN)CCOCCN.CCCOCCBr.CCCOCCC(CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1.CCCOCCCCCOCCNC(=O)OC(C)(C)C.CCCOCCO.Cl
• InChI: InChI=1S/C26H48N2O9.C22H37NO4.C20H39N3O7.C15H31NO4.C5H11BrO.C5H12O2.ClH/c1-6-12-31-16-10-28(11-17-34-15-9-27-25(30)37-26(3,4)5)24(29)8-14-33-19-21-36-23-22-35-20-18-32-13-7-2;1-5-14-25-15-11-20(18-19-9-7-6-8-10-19)12-16-26-17-13-23-21(24)27-22(2,3)4;1-2-8-25-14-16-29-18-19-30-17-15-26-9-3-20(24)23(6-12-27-10-4-21)7-13-28-11-5-22;1-5-10-18-11-7-6-8-12-19-13-9-16-14(17)20-15(2,3)4;2*1-2-4-7-5-3-6;/h2H,6,8-23H2,1,3-5H3,(H,27,30);6-10,20H,5,11-18H2,1-4H3,(H,23,24);1H,3-19,21-22H2;5-13H2,1-4H3,(H,16,17);2-5H2,1H3;6H,2-5H2,1H3;1H
• InChIKey: GUFBWYFLDGHQAZ-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 394.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 79
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.83
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride?

The IUPAC name of N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride (CID 157489841) is N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride.

What is the SMILES notation for N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride?

The canonical SMILES for N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride is C#CCOCCOCCOCCOCCC(=O)N(CCOCCC)CCOCCNC(=O)OC(C)(C)C.C#CCOCCOCCOCCOCCC(=O)N(CCOCCN)CCOCCN.CCCOCCBr.CCCOCCC(CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1.CCCOCCCCCOCCNC(=O)OC(C)(C)C.CCCOCCO.Cl.

What is the InChIKey of N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride?

The InChIKey is GUFBWYFLDGHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O9.C22H37NO4.C20H39N3O7.C15H31NO4.C5H11BrO.C5H12O2.ClH/c1-6-12-31-16-10-28(11-17-34-15-9-27-25(30)37-26(3,4)5)24(29)8-14-33-19-21-36-23-22-35-20-18-32-13-7-2;1-5-14-25-15-11-20(18-19-9-7-6-8-10-19)12-16-26-17-13-23-21(24)27-22(2,3)4;1-2-8-25-14-16-29-18-19-30-17-15-26-9-3-20(24)23(6-12-27-10-4-21)7-13-28-11-5-22;1-5-10-18-11-7-6-8-12-19-13-9-16-14(17)20-15(2,3)4;2*1-2-4-7-5-3-6;/h2H,6,8-23H2,1,3-5H3,(H,27,30);6-10,20H,5,11-18H2,1-4H3,(H,23,24);1H,3-19,21-22H2;5-13H2,1-4H3,(H,16,17);2-5H2,1H3;6H,2-5H2,1H3;1H.

What are the key properties of N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride?

N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride has a molecular weight of 1942.83 g/mol, XLogP of 11.08, 79 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;1-(2-bromoethoxy)propane;tert-butyl N-[2-(3-benzyl-5-propoxypentoxy)ethyl]carbamate;tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-(5-propoxypentoxy)ethyl]carbamate;2-propoxyethanol;hydrochloride is sourced from PubChem (CID 157489841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).