5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

C26H35NO3 — CID 93182685

IUPAC5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C26H35NO3/c1-3-5-16-26(28,17-6-4-2)25-15-14-24(30-25)21-27(20-23-13-10-18-29-23)19-22-11-8-7-9-12-22/h3-4,7-9,11-12,14-15,23,28H,1-2,5-6,10,13,16-21H2/t23-/m1/s1
InChIKeyWPVJFYFMNOSBTK-HSZRJFAPSA-N
MW409.57 g/mol
LogP5.58
Rot. Bonds13

About 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (PubChem CID 93182685) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
PubChem CID93182685
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC Name5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C26H35NO3/c1-3-5-16-26(28,17-6-4-2)25-15-14-24(30-25)21-27(20-23-13-10-18-29-23)19-22-11-8-7-9-12-22/h3-4,7-9,11-12,14-15,23,28H,1-2,5-6,10,13,16-21H2/t23-/m1/s1
InChIKeyWPVJFYFMNOSBTK-HSZRJFAPSA-N
XLogP5.58
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol with MolForge

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Related Compounds

5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93193958
[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
CID 46014037
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
5-[5-[[(4-methylphenyl)methyl-propylamino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017678
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017554
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857
N-benzyl-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497024

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The IUPAC name of 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (CID 93182685) is 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.
What is the SMILES notation for 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The canonical SMILES for 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1.
What is the InChIKey of 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The InChIKey is WPVJFYFMNOSBTK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H35NO3/c1-3-5-16-26(28,17-6-4-2)25-15-14-24(30-25)21-27(20-23-13-10-18-29-23)19-22-11-8-7-9-12-22/h3-4,7-9,11-12,14-15,23,28H,1-2,5-6,10,13,16-21H2/t23-/m1/s1.
What are the key properties of 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol has a molecular weight of 409.57 g/mol, XLogP of 5.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is sourced from PubChem (CID 93182685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).