N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide

C13H19N3O2 — CID 43526914

IUPACN-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
SMILESCN(CCC(=O)N(C)CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-15(11-12-5-3-10-18-12)9-6-13(17)16(2)8-4-7-14/h3,5,10H,4,6,8-9,11H2,1-2H3
InChIKeyJPPXMYODCIKROB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.47
Rot. Bonds7

About N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide

N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide (PubChem CID 43526914) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
PubChem CID43526914
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
SMILESCN(CCC(=O)N(C)CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-15(11-12-5-3-10-18-12)9-6-13(17)16(2)8-4-7-14/h3,5,10H,4,6,8-9,11H2,1-2H3
InChIKeyJPPXMYODCIKROB-UHFFFAOYSA-N
XLogP1.47
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
CID 61423754
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087127
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide (CID 43526914) is N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide is CN(CCC(=O)N(C)CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide?
The InChIKey is JPPXMYODCIKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(11-12-5-3-10-18-12)9-6-13(17)16(2)8-4-7-14/h3,5,10H,4,6,8-9,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 43526914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).