2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen

C18H42N2O7 — CID 162749842

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCOCCOCCOCCOCC(=O)NCCOCCOCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C18H38N2O7.2H2/c1-17(2)19-4-6-23-10-11-24-7-5-20-18(21)16-27-15-14-26-13-12-25-9-8-22-3;;/h17,19H,4-16H2,1-3H3,(H,20,21);2*1H
InChIKeyWBSVEJFDIIBQKQ-UHFFFAOYSA-N
MW398.54 g/mol
LogP0.32
Rot. Bonds21

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen (PubChem CID 162749842) has the molecular formula C18H42N2O7 and a molecular weight of 398.54 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
PubChem CID162749842
Molecular FormulaC18H42N2O7
Molecular Weight398.54 g/mol
Exact Mass398.30
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCOCCOCCOCCOCC(=O)NCCOCCOCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C18H38N2O7.2H2/c1-17(2)19-4-6-23-10-11-24-7-5-20-18(21)16-27-15-14-26-13-12-25-9-8-22-3;;/h17,19H,4-16H2,1-3H3,(H,20,21);2*1H
InChIKeyWBSVEJFDIIBQKQ-UHFFFAOYSA-N
XLogP0.32
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen (CID 162749842) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen is COCCOCCOCCOCC(=O)NCCOCCOCCNC(C)C.[H][H].[H][H].
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
The InChIKey is WBSVEJFDIIBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O7.2H2/c1-17(2)19-4-6-23-10-11-24-7-5-20-18(21)16-27-15-14-26-13-12-25-9-8-22-3;;/h17,19H,4-16H2,1-3H3,(H,20,21);2*1H.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen has a molecular weight of 398.54 g/mol, XLogP of 0.32, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 162749842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).