[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol

C33H33NO5 — CID 42839379

IUPAC[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccco3)Cc3ccccc3C)o2)cc1
InChIInChI=1S/C33H33NO5/c1-24-7-4-5-8-25(24)21-34(22-30-9-6-20-38-30)23-31-18-19-32(39-31)33(35,26-10-14-28(36-2)15-11-26)27-12-16-29(37-3)17-13-27/h4-20,35H,21-23H2,1-3H3
InChIKeyYWVMYBNNWSEGHJ-UHFFFAOYSA-N
MW523.63 g/mol
LogP6.68
Rot. Bonds11

About [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol

[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (PubChem CID 42839379) has the molecular formula C33H33NO5 and a molecular weight of 523.63 g/mol. Its IUPAC name is [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
PubChem CID42839379
Molecular FormulaC33H33NO5
Molecular Weight523.63 g/mol
Exact Mass523.24
IUPAC Name[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccco3)Cc3ccccc3C)o2)cc1
InChIInChI=1S/C33H33NO5/c1-24-7-4-5-8-25(24)21-34(22-30-9-6-20-38-30)23-31-18-19-32(39-31)33(35,26-10-14-28(36-2)15-11-26)27-12-16-29(37-3)17-13-27/h4-20,35H,21-23H2,1-3H3
InChIKeyYWVMYBNNWSEGHJ-UHFFFAOYSA-N
XLogP6.68
TPSA68.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
4-[5-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46017576
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 46014026
bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
CID 46017661
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 24714559
bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46017527
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
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
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956

Frequently Asked Questions

What is the IUPAC name of [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The IUPAC name of [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (CID 42839379) is [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The canonical SMILES for [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccco3)Cc3ccccc3C)o2)cc1.
What is the InChIKey of [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The InChIKey is YWVMYBNNWSEGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO5/c1-24-7-4-5-8-25(24)21-34(22-30-9-6-20-38-30)23-31-18-19-32(39-31)33(35,26-10-14-28(36-2)15-11-26)27-12-16-29(37-3)17-13-27/h4-20,35H,21-23H2,1-3H3.
What are the key properties of [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol has a molecular weight of 523.63 g/mol, XLogP of 6.68, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 42839379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).