[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol

C32H35NO5 — CID 93176903

IUPAC[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccccc3)C[C@H]3CCCO3)o2)cc1
InChIInChI=1S/C32H35NO5/c1-35-27-14-10-25(11-15-27)32(34,26-12-16-28(36-2)17-13-26)31-19-18-30(38-31)23-33(22-29-9-6-20-37-29)21-24-7-4-3-5-8-24/h3-5,7-8,10-19,29,34H,6,9,20-23H2,1-2H3/t29-/m1/s1
InChIKeyDESVDVNSWJLYTO-GDLZYMKVSA-N
MW513.63 g/mol
LogP5.76
Rot. Bonds11

About [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol

[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (PubChem CID 93176903) has the molecular formula C32H35NO5 and a molecular weight of 513.63 g/mol. Its IUPAC name is [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
PubChem CID93176903
Molecular FormulaC32H35NO5
Molecular Weight513.63 g/mol
Exact Mass513.25
IUPAC Name[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccccc3)C[C@H]3CCCO3)o2)cc1
InChIInChI=1S/C32H35NO5/c1-35-27-14-10-25(11-15-27)32(34,26-12-16-28(36-2)17-13-26)31-19-18-30(38-31)23-33(22-29-9-6-20-37-29)21-24-7-4-3-5-8-24/h3-5,7-8,10-19,29,34H,6,9,20-23H2,1-2H3/t29-/m1/s1
InChIKeyDESVDVNSWJLYTO-GDLZYMKVSA-N
XLogP5.76
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
CID 46014037
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93182685
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(4-methoxyphenyl)methyl]-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 171672175
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956
N-benzyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818419
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The IUPAC name of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (CID 93176903) is [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The canonical SMILES for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccccc3)C[C@H]3CCCO3)o2)cc1.
What is the InChIKey of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
The InChIKey is DESVDVNSWJLYTO-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H35NO5/c1-35-27-14-10-25(11-15-27)32(34,26-12-16-28(36-2)17-13-26)31-19-18-30(38-31)23-33(22-29-9-6-20-37-29)21-24-7-4-3-5-8-24/h3-5,7-8,10-19,29,34H,6,9,20-23H2,1-2H3/t29-/m1/s1.
What are the key properties of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol?
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol has a molecular weight of 513.63 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 93176903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).