3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide

C39H81N5O11 — CID 166136964

About 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide

3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide (PubChem CID 166136964) has the molecular formula C39H81N5O11 and a molecular weight of 796.10 g/mol. Its IUPAC name is 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide
• PubChem CID: 166136964
• Molecular Formula: C39H81N5O11
• Molecular Weight: 796.10 g/mol
• Exact Mass: 795.59
• IUPAC Name: 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide
• SMILES: CC(C)(CN)COCCOCC(C)(C)CC(=O)NCCCCCC(=O)NCCOCCOCCC(=O)O.CCC(N)=O.CCCOCCOCC(C)(C)CN
• InChI: InChI=1S/C26H51N3O8.C10H23NO2.C3H7NO/c1-25(2,20-36-16-17-37-21-26(3,4)19-27)18-23(31)28-10-7-5-6-8-22(30)29-11-13-35-15-14-34-12-9-24(32)33;1-4-5-12-6-7-13-9-10(2,3)8-11;1-2-3(4)5/h5-21,27H2,1-4H3,(H,28,31)(H,29,30)(H,32,33);4-9,11H2,1-3H3;2H2,1H3,(H2,4,5)
• InChIKey: UUCPZLSSVBRNQA-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 246.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.10
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide?

The IUPAC name of 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide (CID 166136964) is 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide.

What is the SMILES notation for 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide?

The canonical SMILES for 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide is CC(C)(CN)COCCOCC(C)(C)CC(=O)NCCCCCC(=O)NCCOCCOCCC(=O)O.CCC(N)=O.CCCOCCOCC(C)(C)CN.

What is the InChIKey of 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide?

The InChIKey is UUCPZLSSVBRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3O8.C10H23NO2.C3H7NO/c1-25(2,20-36-16-17-37-21-26(3,4)19-27)18-23(31)28-10-7-5-6-8-22(30)29-11-13-35-15-14-34-12-9-24(32)33;1-4-5-12-6-7-13-9-10(2,3)8-11;1-2-3(4)5/h5-21,27H2,1-4H3,(H,28,31)(H,29,30)(H,32,33);4-9,11H2,1-3H3;2H2,1H3,(H2,4,5).

What are the key properties of 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide?

3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide has a molecular weight of 796.10 g/mol, XLogP of 3.02, 34 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[6-[[4-[2-(3-amino-2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutanoyl]amino]hexanoylamino]ethoxy]ethoxy]propanoic acid;2,2-dimethyl-3-(2-propoxyethoxy)propan-1-amine;propanamide is sourced from PubChem (CID 166136964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).