N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide

C12H16N2O2 — CID 60520035

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
SMILESCCCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C12H16N2O2/c1-2-5-12(15)14(8-4-7-13)10-11-6-3-9-16-11/h3,6,9H,2,4-5,8,10H2,1H3
InChIKeyZHEOFRQMSQWAIW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds6

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 60520035) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
PubChem CID60520035
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
SMILESCCCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C12H16N2O2/c1-2-5-12(15)14(8-4-7-13)10-11-6-3-9-16-11/h3,6,9H,2,4-5,8,10H2,1H3
InChIKeyZHEOFRQMSQWAIW-UHFFFAOYSA-N
XLogP2.32
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
CID 54943286

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide (CID 60520035) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide is CCCC(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is ZHEOFRQMSQWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-5-12(15)14(8-4-7-13)10-11-6-3-9-16-11/h3,6,9H,2,4-5,8,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 220.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 60520035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).