N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide

C21H42N2O7 — CID 155459719

About N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide

N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide (PubChem CID 155459719) has the molecular formula C21H42N2O7 and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
• PubChem CID: 155459719
• Molecular Formula: C21H42N2O7
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.30
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NCCOCCOCCOCCOCCOCC(=O)NCC(C)(C)C
• InChI: InChI=1S/C21H42N2O7/c1-18(2)20(25)22-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-19(24)23-17-21(3,4)5/h18H,6-17H2,1-5H3,(H,22,25)(H,23,24)
• InChIKey: QTRRHCDFXYPMJG-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 104.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide (CID 155459719) is N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOCCOCCOCCOCCOCC(=O)NCC(C)(C)C.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide?

The InChIKey is QTRRHCDFXYPMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O7/c1-18(2)20(25)22-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-19(24)23-17-21(3,4)5/h18H,6-17H2,1-5H3,(H,22,25)(H,23,24).

What are the key properties of N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide?

N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide has a molecular weight of 434.57 g/mol, XLogP of 1.00, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 155459719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).