N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide

C14H20N2O2 — CID 54943286

IUPACN-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h3,5,10,12H,4,6-7,9,11H2,1-2H3
InChIKeyOOCSTHXHKBCNPQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.61
Rot. Bonds7

About N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide

N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide (PubChem CID 54943286) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
PubChem CID54943286
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h3,5,10,12H,4,6-7,9,11H2,1-2H3
InChIKeyOOCSTHXHKBCNPQ-UHFFFAOYSA-N
XLogP2.61
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
3-(4-aminophenyl)-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 61114533
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
N-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide (CID 54943286) is N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide is CC(C)CN(CCC#N)C(=O)CCc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is OOCSTHXHKBCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h3,5,10,12H,4,6-7,9,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide?
N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(furan-2-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 54943286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).