3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C11H14N2O2 — CID 115173902

IUPAC3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCC#N)o1
InChIInChI=1S/C11H14N2O2/c1-9-5-6-10(15-9)8-13(2)11(14)4-3-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyGDIBAYUBISRYBF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.85
Rot. Bonds4

About 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 115173902) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID115173902
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCC#N)o1
InChIInChI=1S/C11H14N2O2/c1-9-5-6-10(15-9)8-13(2)11(14)4-3-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyGDIBAYUBISRYBF-UHFFFAOYSA-N
XLogP1.85
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 115173902) is 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCC#N)o1.
What is the InChIKey of 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is GDIBAYUBISRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9-5-6-10(15-9)8-13(2)11(14)4-3-7-12/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 206.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 115173902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).