3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol

C23H41NO7 — CID 176613357

IUPAC3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
SMILESCN(CCOCCOCCOCCOCCOCCOCCCO)Cc1ccccc1
InChIInChI=1S/C23H41NO7/c1-24(22-23-6-3-2-4-7-23)8-11-27-13-15-29-17-19-31-21-20-30-18-16-28-14-12-26-10-5-9-25/h2-4,6-7,25H,5,8-22H2,1H3
InChIKeyXIYQWGXIKSXSAO-UHFFFAOYSA-N
MW443.58 g/mol
LogP1.60
Rot. Bonds23

About 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol

3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol (PubChem CID 176613357) has the molecular formula C23H41NO7 and a molecular weight of 443.58 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
PubChem CID176613357
Molecular FormulaC23H41NO7
Molecular Weight443.58 g/mol
Exact Mass443.29
IUPAC Name3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
SMILESCN(CCOCCOCCOCCOCCOCCOCCCO)Cc1ccccc1
InChIInChI=1S/C23H41NO7/c1-24(22-23-6-3-2-4-7-23)8-11-27-13-15-29-17-19-31-21-20-30-18-16-28-14-12-26-10-5-9-25/h2-4,6-7,25H,5,8-22H2,1H3
InChIKeyXIYQWGXIKSXSAO-UHFFFAOYSA-N
XLogP1.60
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
N-[3-[2-[benzyl(methyl)amino]ethoxy]propylcarbamoyl]-N-sulfanylbenzamide
CID 57080652
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175886823
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine
CID 22974533
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
bis[3-[benzyl(methyl)amino]propyl] carbonate;hydrate;dihydrochloride
CID 18944361
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol (CID 176613357) is 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol is CN(CCOCCOCCOCCOCCOCCOCCCO)Cc1ccccc1.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol?
The InChIKey is XIYQWGXIKSXSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO7/c1-24(22-23-6-3-2-4-7-23)8-11-27-13-15-29-17-19-31-21-20-30-18-16-28-14-12-26-10-5-9-25/h2-4,6-7,25H,5,8-22H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol?
3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol has a molecular weight of 443.58 g/mol, XLogP of 1.60, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol is sourced from PubChem (CID 176613357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).