3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile

C13H18N2O2 — CID 62052823

IUPAC3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC(=O)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-11(2)9-15(7-4-6-14)10-12(16)13-5-3-8-17-13/h3,5,8,11H,4,7,9-10H2,1-2H3
InChIKeyOYVATJMKUPOSKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.33
Rot. Bonds7

About 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile

3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 62052823) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
PubChem CID62052823
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC(=O)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-11(2)9-15(7-4-6-14)10-12(16)13-5-3-8-17-13/h3,5,8,11H,4,7,9-10H2,1-2H3
InChIKeyOYVATJMKUPOSKT-UHFFFAOYSA-N
XLogP2.33
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053466
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
CID 63583939
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
CID 54943286
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
3-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62051069
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(furan-2-yl)ethanone
CID 103189899
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
3-[benzyl(phenacyl)amino]propanenitrile
CID 12922240

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile (CID 62052823) is 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)CC(=O)c1ccco1.
What is the InChIKey of 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is OYVATJMKUPOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(2)9-15(7-4-6-14)10-12(16)13-5-3-8-17-13/h3,5,8,11H,4,7,9-10H2,1-2H3.
What are the key properties of 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile?
3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 234.30 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 62052823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).