2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile

C24H24N2O2 — CID 60585190

IUPAC2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C24H24N2O2/c25-15-21-5-1-2-8-24(21)20-11-9-19(10-12-20)16-26(17-22-6-3-13-27-22)18-23-7-4-14-28-23/h1-3,5-6,8-13,23H,4,7,14,16-18H2
InChIKeyVNZGJDBAFVIRLN-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile

2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile (PubChem CID 60585190) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
PubChem CID60585190
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C24H24N2O2/c25-15-21-5-1-2-8-24(21)20-11-9-19(10-12-20)16-26(17-22-6-3-13-27-22)18-23-7-4-14-28-23/h1-3,5-6,8-13,23H,4,7,14,16-18H2
InChIKeyVNZGJDBAFVIRLN-UHFFFAOYSA-N
XLogP5.00
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47078030
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585103
4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572047
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585191
4-[[(3-iodophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzonitrile
CID 23961393
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile (CID 60585190) is 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(CN(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile?
The InChIKey is VNZGJDBAFVIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c25-15-21-5-1-2-8-24(21)20-11-9-19(10-12-20)16-26(17-22-6-3-13-27-22)18-23-7-4-14-28-23/h1-3,5-6,8-13,23H,4,7,14,16-18H2.
What are the key properties of 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile?
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile is sourced from PubChem (CID 60585190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).