3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile

C17H20N2O3 — CID 3808741

IUPAC3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
SMILESN#CCCN(Cc1ccco1)CC(O)COc1ccccc1
InChIInChI=1S/C17H20N2O3/c18-9-5-10-19(13-17-8-4-11-21-17)12-15(20)14-22-16-6-2-1-3-7-16/h1-4,6-8,11,15,20H,5,10,12-14H2
InChIKeyGXIWWKCMUYUVET-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds9

About 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile

3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile (PubChem CID 3808741) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
PubChem CID3808741
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
SMILESN#CCCN(Cc1ccco1)CC(O)COc1ccccc1
InChIInChI=1S/C17H20N2O3/c18-9-5-10-19(13-17-8-4-11-21-17)12-15(20)14-22-16-6-2-1-3-7-16/h1-4,6-8,11,15,20H,5,10,12-14H2
InChIKeyGXIWWKCMUYUVET-UHFFFAOYSA-N
XLogP2.44
TPSA69.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78793486
N-[2-[3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 74227693
3-[furan-2-ylmethyl-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]amino]propanenitrile
CID 7042052
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
3-[[2-(3-chlorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 3854860
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 35767703
1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 17475733

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile?
The IUPAC name of 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile (CID 3808741) is 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile.
What is the SMILES notation for 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile?
The canonical SMILES for 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile is N#CCCN(Cc1ccco1)CC(O)COc1ccccc1.
What is the InChIKey of 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile?
The InChIKey is GXIWWKCMUYUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-9-5-10-19(13-17-8-4-11-21-17)12-15(20)14-22-16-6-2-1-3-7-16/h1-4,6-8,11,15,20H,5,10,12-14H2.
What are the key properties of 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile?
3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile has a molecular weight of 300.36 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile is sourced from PubChem (CID 3808741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).