3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide

C13H18N2O2 — CID 112515481

IUPAC3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CC(C#N)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-10(2)5-6-15-13(16)8-11(9-14)12-4-3-7-17-12/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRQCQAEKCWPXJBR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.44
Rot. Bonds6

About 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide

3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide (PubChem CID 112515481) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
PubChem CID112515481
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CC(C#N)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-10(2)5-6-15-13(16)8-11(9-14)12-4-3-7-17-12/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRQCQAEKCWPXJBR-UHFFFAOYSA-N
XLogP2.44
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-methylbutyl)-3-(3-methylphenyl)propanamide
CID 112511572
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
CID 55263890
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
2-(furan-2-yl)pentanenitrile
CID 165359033
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 81400149
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
CID 13075779
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide (CID 112515481) is 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CC(C#N)c1ccco1.
What is the InChIKey of 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is RQCQAEKCWPXJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)5-6-15-13(16)8-11(9-14)12-4-3-7-17-12/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide?
3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 112515481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).