3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol

C22H27NO3 — CID 46014026

IUPAC3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(CN(Cc2ccccc2)Cc2ccco2)o1
InChIInChI=1S/C22H27NO3/c1-3-22(24,4-2)21-13-12-20(26-21)17-23(16-19-11-8-14-25-19)15-18-9-6-5-7-10-18/h5-14,24H,3-4,15-17H2,1-2H3
InChIKeyMARWOEDLKDBOGM-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.08
Rot. Bonds9

About 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol

3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol (PubChem CID 46014026) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
PubChem CID46014026
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(CN(Cc2ccccc2)Cc2ccco2)o1
InChIInChI=1S/C22H27NO3/c1-3-22(24,4-2)21-13-12-20(26-21)17-23(16-19-11-8-14-25-19)15-18-9-6-5-7-10-18/h5-14,24H,3-4,15-17H2,1-2H3
InChIKeyMARWOEDLKDBOGM-UHFFFAOYSA-N
XLogP5.08
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 42838421
2-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]-1,3-di(cyclobutyl)propan-2-ol
CID 42839033
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
3-[5-[[furan-2-ylmethyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839392
4-[5-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46017576
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 24714559
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 42839379
3-[5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 46017800
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 24712766
2-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]acetic acid
CID 39424492
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol?
The IUPAC name of 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol (CID 46014026) is 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol.
What is the SMILES notation for 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol?
The canonical SMILES for 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol is CCC(O)(CC)c1ccc(CN(Cc2ccccc2)Cc2ccco2)o1.
What is the InChIKey of 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol?
The InChIKey is MARWOEDLKDBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-22(24,4-2)21-13-12-20(26-21)17-23(16-19-11-8-14-25-19)15-18-9-6-5-7-10-18/h5-14,24H,3-4,15-17H2,1-2H3.
What are the key properties of 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol?
3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol has a molecular weight of 353.46 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol is sourced from PubChem (CID 46014026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).