N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide

C17H37N3O4 — CID 170218773

IUPACN-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
SMILESCNCCOCCNCCOCCOC(C)(C)C(C)CNC(C)=O
InChIInChI=1S/C17H37N3O4/c1-15(14-20-16(2)21)17(3,4)24-13-12-23-11-8-19-7-10-22-9-6-18-5/h15,18-19H,6-14H2,1-5H3,(H,20,21)
InChIKeyOXZLRNMAKBGDBM-UHFFFAOYSA-N
MW347.50 g/mol
LogP0.40
Rot. Bonds16

About N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide

N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide (PubChem CID 170218773) has the molecular formula C17H37N3O4 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
PubChem CID170218773
Molecular FormulaC17H37N3O4
Molecular Weight347.50 g/mol
Exact Mass347.28
IUPAC NameN-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
SMILESCNCCOCCNCCOCCOC(C)(C)C(C)CNC(C)=O
InChIInChI=1S/C17H37N3O4/c1-15(14-20-16(2)21)17(3,4)24-13-12-23-11-8-19-7-10-22-9-6-18-5/h15,18-19H,6-14H2,1-5H3,(H,20,21)
InChIKeyOXZLRNMAKBGDBM-UHFFFAOYSA-N
XLogP0.40
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
CID 155750887
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769
N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727987
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
ethane;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-(2-methylpropyl)acetamide
CID 153390370

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide?
The IUPAC name of N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide (CID 170218773) is N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide?
The canonical SMILES for N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide is CNCCOCCNCCOCCOC(C)(C)C(C)CNC(C)=O.
What is the InChIKey of N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide?
The InChIKey is OXZLRNMAKBGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O4/c1-15(14-20-16(2)21)17(3,4)24-13-12-23-11-8-19-7-10-22-9-6-18-5/h15,18-19H,6-14H2,1-5H3,(H,20,21).
What are the key properties of N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide?
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 0.40, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide is sourced from PubChem (CID 170218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).