4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol

C20H27NO4 — CID 24714559

IUPAC4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(CN(CCOC)Cc2ccco2)o1
InChIInChI=1S/C20H27NO4/c1-4-10-20(22,11-5-2)19-9-8-18(25-19)16-21(12-14-23-3)15-17-7-6-13-24-17/h4-9,13,22H,1-2,10-12,14-16H2,3H3
InChIKeyFCIYSESBOZCBOF-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.86
Rot. Bonds12

About 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol

4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol (PubChem CID 24714559) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
PubChem CID24714559
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(CN(CCOC)Cc2ccco2)o1
InChIInChI=1S/C20H27NO4/c1-4-10-20(22,11-5-2)19-9-8-18(25-19)16-21(12-14-23-3)15-17-7-6-13-24-17/h4-9,13,22H,1-2,10-12,14-16H2,3H3
InChIKeyFCIYSESBOZCBOF-UHFFFAOYSA-N
XLogP3.86
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol with MolForge

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Related Compounds

3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498
5-[5-[[2-methoxyethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017644
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 46014026
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
4-[5-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46017576
4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 42839319
3-[5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839247
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 42839379
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
3-[5-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 42838421

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol (CID 24714559) is 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)c1ccc(CN(CCOC)Cc2ccco2)o1.
What is the InChIKey of 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The InChIKey is FCIYSESBOZCBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-10-20(22,11-5-2)19-9-8-18(25-19)16-21(12-14-23-3)15-17-7-6-13-24-17/h4-9,13,22H,1-2,10-12,14-16H2,3H3.
What are the key properties of 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol has a molecular weight of 345.44 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 24714559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).