N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide

C16H33N3O5 — CID 23377103

IUPACN'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
SMILESCNC(=O)CCC(=O)N(C)CCOCCOCCOCCN(C)C
InChIInChI=1S/C16H33N3O5/c1-17-15(20)5-6-16(21)19(4)8-10-23-12-14-24-13-11-22-9-7-18(2)3/h5-14H2,1-4H3,(H,17,20)
InChIKeySWXJEAMBAFWYSC-UHFFFAOYSA-N
MW347.46 g/mol
LogP-0.42
Rot. Bonds15

About N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide

N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide (PubChem CID 23377103) has the molecular formula C16H33N3O5 and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
PubChem CID23377103
Molecular FormulaC16H33N3O5
Molecular Weight347.46 g/mol
Exact Mass347.24
IUPAC NameN'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
SMILESCNC(=O)CCC(=O)N(C)CCOCCOCCOCCN(C)C
InChIInChI=1S/C16H33N3O5/c1-17-15(20)5-6-16(21)19(4)8-10-23-12-14-24-13-11-22-9-7-18(2)3/h5-14H2,1-4H3,(H,17,20)
InChIKeySWXJEAMBAFWYSC-UHFFFAOYSA-N
XLogP-0.42
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide?
The IUPAC name of N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide (CID 23377103) is N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide.
What is the SMILES notation for N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide?
The canonical SMILES for N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide is CNC(=O)CCC(=O)N(C)CCOCCOCCOCCN(C)C.
What is the InChIKey of N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide?
The InChIKey is SWXJEAMBAFWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O5/c1-17-15(20)5-6-16(21)19(4)8-10-23-12-14-24-13-11-22-9-7-18(2)3/h5-14H2,1-4H3,(H,17,20).
What are the key properties of N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide?
N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide has a molecular weight of 347.46 g/mol, XLogP of -0.42, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide is sourced from PubChem (CID 23377103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).