4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde

C30H33NO6 — CID 71489124

IUPAC4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
SMILESO=Cc1ccc(COCCN(CCOCc2ccc(C=O)cc2)CCOCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C30H33NO6/c32-19-25-1-7-28(8-2-25)22-35-16-13-31(14-17-36-23-29-9-3-26(20-33)4-10-29)15-18-37-24-30-11-5-27(21-34)6-12-30/h1-12,19-21H,13-18,22-24H2
InChIKeyHHNFXPXNEFDGRM-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.38
Rot. Bonds18

About 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde

4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde (PubChem CID 71489124) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
PubChem CID71489124
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC Name4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
SMILESO=Cc1ccc(COCCN(CCOCc2ccc(C=O)cc2)CCOCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C30H33NO6/c32-19-25-1-7-28(8-2-25)22-35-16-13-31(14-17-36-23-29-9-3-26(20-33)4-10-29)15-18-37-24-30-11-5-27(21-34)6-12-30/h1-12,19-21H,13-18,22-24H2
InChIKeyHHNFXPXNEFDGRM-UHFFFAOYSA-N
XLogP4.38
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
4-(9-oxononoxymethyl)benzaldehyde
CID 10754947
4-(phosphorosooxymethyl)benzaldehyde
CID 153444491
4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde
CID 123494845
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
CID 58592129
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
2-[(4-ethenylcyclohexa-1,5-dien-1-yl)methoxy]-N,N-bis[2-[(4-ethenylphenyl)methoxy]ethyl]ethanamine
CID 89169710
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62458634
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde?
The IUPAC name of 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde (CID 71489124) is 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde.
What is the SMILES notation for 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde?
The canonical SMILES for 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde is O=Cc1ccc(COCCN(CCOCc2ccc(C=O)cc2)CCOCc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde?
The InChIKey is HHNFXPXNEFDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO6/c32-19-25-1-7-28(8-2-25)22-35-16-13-31(14-17-36-23-29-9-3-26(20-33)4-10-29)15-18-37-24-30-11-5-27(21-34)6-12-30/h1-12,19-21H,13-18,22-24H2.
What are the key properties of 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde?
4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde has a molecular weight of 503.60 g/mol, XLogP of 4.38, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde is sourced from PubChem (CID 71489124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).