2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide

C12H16N2O2 — CID 55208173

IUPAC2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c1-9(2)11(6-13)12(15)14(3)7-10-4-5-16-8-10/h4-5,8-9,11H,7H2,1-3H3
InChIKeyYGQKALZGGYXVRT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds4

About 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide

2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide (PubChem CID 55208173) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
PubChem CID55208173
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c1-9(2)11(6-13)12(15)14(3)7-10-4-5-16-8-10/h4-5,8-9,11H,7H2,1-3H3
InChIKeyYGQKALZGGYXVRT-UHFFFAOYSA-N
XLogP2.03
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide (CID 55208173) is 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide is CC(C)C(C#N)C(=O)N(C)Cc1ccoc1.
What is the InChIKey of 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide?
The InChIKey is YGQKALZGGYXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)11(6-13)12(15)14(3)7-10-4-5-16-8-10/h4-5,8-9,11H,7H2,1-3H3.
What are the key properties of 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide?
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide has a molecular weight of 220.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 55208173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).