N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide

C12H16N2O2 — CID 13075779

IUPACN-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(C#N)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-9(2)7-12(15)14(3)10(8-13)11-5-4-6-16-11/h4-6,9-10H,7H2,1-3H3
InChIKeyIXADSYKDCVLPMI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds4

About N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide

N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 13075779) 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,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
PubChem CID13075779
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(C#N)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-9(2)7-12(15)14(3)10(8-13)11-5-4-6-16-11/h4-6,9-10H,7H2,1-3H3
InChIKeyIXADSYKDCVLPMI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 82114356
N-[cyano-(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 82118902
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
ethyl 4,4-dicyano-3-(furan-2-yl)butanoate
CID 11020747
3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
CID 112515481
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
CID 82075111
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid
CID 66658289
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8756001

Frequently Asked Questions

What is the IUPAC name of N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide (CID 13075779) is N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C(C#N)c1ccco1.
What is the InChIKey of N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is IXADSYKDCVLPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)7-12(15)14(3)10(8-13)11-5-4-6-16-11/h4-6,9-10H,7H2,1-3H3.
What are the key properties of N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide?
N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 220.27 g/mol, XLogP of 2.35, 4 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,3-dimethylbutanamide is sourced from PubChem (CID 13075779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).