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

C11H14N2O2 — CID 13075793

IUPACN-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C#N)c1ccco1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)10(14)13-8(7-12)9-5-4-6-15-9/h4-6,8H,1-3H3,(H,13,14)
InChIKeyAVQJITNBYQBYOZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.01
Rot. Bonds2

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

N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 13075793) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID13075793
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C#N)c1ccco1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)10(14)13-8(7-12)9-5-4-6-15-9/h4-6,8H,1-3H3,(H,13,14)
InChIKeyAVQJITNBYQBYOZ-UHFFFAOYSA-N
XLogP2.01
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(furan-2-yl)methyl]-4-methylbenzamide
CID 13075830
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 14624271
3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
CID 82124792
2-(furan-2-yl)-2-(iodoamino)acetonitrile
CID 146552435
N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 82114356
(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
CID 55263890
3-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 81400085
2-cyano-3-(furan-2-yl)-4,4,5-trimethoxy-5-oxopentanoate
CID 78468600
3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 124883855
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]propanamide
CID 822552

Frequently Asked Questions

What is the IUPAC name of N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide (CID 13075793) is N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C#N)c1ccco1.
What is the InChIKey of N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is AVQJITNBYQBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,3)10(14)13-8(7-12)9-5-4-6-15-9/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide?
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 206.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 13075793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).