N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide

C12H16N2O2 — CID 82114356

IUPACN-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(C#N)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)11(15)14(4)9(8-13)10-6-5-7-16-10/h5-7,9H,1-4H3
InChIKeyRDTAHBNKUIIMMP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds2

About N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide

N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 82114356) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID82114356
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(C#N)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)11(15)14(4)9(8-13)10-6-5-7-16-10/h5-7,9H,1-4H3
InChIKeyRDTAHBNKUIIMMP-UHFFFAOYSA-N
XLogP2.35
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
CID 13075779
N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 82118903
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 124883855
2-(furan-2-yl)-3,3-dimethylbutanoic acid
CID 83817123
ethyl 4,4-dicyano-3-(furan-2-yl)butanoate
CID 11020747
2-(furan-2-yl)propanedioic acid
CID 19790856
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
2-(furan-2-yl)-2-sulfanylacetonitrile
CID 13409144
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile
CID 10084391

Frequently Asked Questions

What is the IUPAC name of N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 82114356) is N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C(C#N)c1ccco1.
What is the InChIKey of N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is RDTAHBNKUIIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)11(15)14(4)9(8-13)10-6-5-7-16-10/h5-7,9H,1-4H3.
What are the key properties of N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide?
N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 82114356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).