3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde

C18H29NO7 — CID 14942293

IUPAC3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)cc1OCCOCCOCCOCCOCCO
InChIInChI=1S/C18H29NO7/c1-19-17-3-2-16(15-21)14-18(17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20/h2-3,14-15,19-20H,4-13H2,1H3
InChIKeyQKADCKOEIYZKLN-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.98
Rot. Bonds17

About 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde

3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde (PubChem CID 14942293) has the molecular formula C18H29NO7 and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
PubChem CID14942293
Molecular FormulaC18H29NO7
Molecular Weight371.43 g/mol
Exact Mass371.19
IUPAC Name3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)cc1OCCOCCOCCOCCOCCO
InChIInChI=1S/C18H29NO7/c1-19-17-3-2-16(15-21)14-18(17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20/h2-3,14-15,19-20H,4-13H2,1H3
InChIKeyQKADCKOEIYZKLN-UHFFFAOYSA-N
XLogP0.98
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
3-[2-(2-hydroxyethoxy)ethoxy]-4-nitrobenzaldehyde
CID 62114322
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 61071247
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
CID 160989704
methyl 4-[(E)-2-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoate
CID 68981232
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde;4-hydroxy-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 160989703
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164915077
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide
CID 169248258

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde?
The IUPAC name of 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde (CID 14942293) is 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde?
The canonical SMILES for 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde is CNc1ccc(C=O)cc1OCCOCCOCCOCCOCCO.
What is the InChIKey of 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde?
The InChIKey is QKADCKOEIYZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO7/c1-19-17-3-2-16(15-21)14-18(17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20/h2-3,14-15,19-20H,4-13H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde?
3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde has a molecular weight of 371.43 g/mol, XLogP of 0.98, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde is sourced from PubChem (CID 14942293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).