methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde

C29H45NO8 — CID 169146674

IUPACmethoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
SMILESCCOC.O=Cc1ccc(NCCOCCOCCOCCOCCOCCOCc2ccccc2)cc1
InChIInChI=1S/C26H37NO7.C3H8O/c28-22-24-6-8-26(9-7-24)27-10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-23-25-4-2-1-3-5-25;1-3-4-2/h1-9,22,27H,10-21,23H2;3H2,1-2H3
InChIKeyGQQDYUCYWOAELL-UHFFFAOYSA-N
MW535.68 g/mol
LogP3.86
Rot. Bonds23

About methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde

methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde (PubChem CID 169146674) has the molecular formula C29H45NO8 and a molecular weight of 535.68 g/mol. Its IUPAC name is methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde.

Molecular Properties

Compound Namemethoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
PubChem CID169146674
Molecular FormulaC29H45NO8
Molecular Weight535.68 g/mol
Exact Mass535.31
IUPAC Namemethoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
SMILESCCOC.O=Cc1ccc(NCCOCCOCCOCCOCCOCCOCc2ccccc2)cc1
InChIInChI=1S/C26H37NO7.C3H8O/c28-22-24-6-8-26(9-7-24)27-10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-23-25-4-2-1-3-5-25;1-3-4-2/h1-9,22,27H,10-21,23H2;3H2,1-2H3
InChIKeyGQQDYUCYWOAELL-UHFFFAOYSA-N
XLogP3.86
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.68
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
CID 54054142
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-anilinoethoxy)ethyl formate
CID 102065077
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080

Frequently Asked Questions

What is the IUPAC name of methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The IUPAC name of methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde (CID 169146674) is methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde.
What is the SMILES notation for methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The canonical SMILES for methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde is CCOC.O=Cc1ccc(NCCOCCOCCOCCOCCOCCOCc2ccccc2)cc1.
What is the InChIKey of methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
The InChIKey is GQQDYUCYWOAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO7.C3H8O/c28-22-24-6-8-26(9-7-24)27-10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-23-25-4-2-1-3-5-25;1-3-4-2/h1-9,22,27H,10-21,23H2;3H2,1-2H3.
What are the key properties of methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde?
methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde has a molecular weight of 535.68 g/mol, XLogP of 3.86, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde is sourced from PubChem (CID 169146674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).