4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde

C19H21NO5 — CID 173326260

IUPAC4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1
InChIInChI=1S/C19H21NO5/c21-11-13-24-20(25-14-12-22)19-9-7-17(8-10-19)2-1-16-3-5-18(15-23)6-4-16/h1-10,15,21-22H,11-14H2
InChIKeyMSJHSKGOUGJWFN-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.32
Rot. Bonds10

About 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde

4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde (PubChem CID 173326260) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde
PubChem CID173326260
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1
InChIInChI=1S/C19H21NO5/c21-11-13-24-20(25-14-12-22)19-9-7-17(8-10-19)2-1-16-3-5-18(15-23)6-4-16/h1-10,15,21-22H,11-14H2
InChIKeyMSJHSKGOUGJWFN-UHFFFAOYSA-N
XLogP2.32
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde (CID 173326260) is 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde is O=Cc1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1.
What is the InChIKey of 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde?
The InChIKey is MSJHSKGOUGJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-11-13-24-20(25-14-12-22)19-9-7-17(8-10-19)2-1-16-3-5-18(15-23)6-4-16/h1-10,15,21-22H,11-14H2.
What are the key properties of 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde?
4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde has a molecular weight of 343.38 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 173326260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).