5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde

C13H21NO4 — CID 113372293

IUPAC5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
SMILESCOCCCN(CCOC)Cc1ccc(C=O)o1
InChIInChI=1S/C13H21NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyOOCOMGSNMUUSNB-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.58
Rot. Bonds10

About 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde

5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde (PubChem CID 113372293) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
PubChem CID113372293
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
SMILESCOCCCN(CCOC)Cc1ccc(C=O)o1
InChIInChI=1S/C13H21NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyOOCOMGSNMUUSNB-UHFFFAOYSA-N
XLogP1.58
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde (CID 113372293) is 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde is COCCCN(CCOC)Cc1ccc(C=O)o1.
What is the InChIKey of 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde?
The InChIKey is OOCOMGSNMUUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-8-3-6-14(7-9-17-2)10-12-4-5-13(11-15)18-12/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde?
5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde has a molecular weight of 255.31 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde is sourced from PubChem (CID 113372293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).