N-(furan-3-ylmethyl)-2-methylpropanamide

C9H13NO2 — CID 59833185

IUPACN-(furan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccoc1
InChIInChI=1S/C9H13NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyPXWCJUDFXALOSI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.55
Rot. Bonds3

About N-(furan-3-ylmethyl)-2-methylpropanamide

N-(furan-3-ylmethyl)-2-methylpropanamide (PubChem CID 59833185) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methylpropanamide
PubChem CID59833185
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(furan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccoc1
InChIInChI=1S/C9H13NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyPXWCJUDFXALOSI-UHFFFAOYSA-N
XLogP1.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-methylpropanamide (CID 59833185) is N-(furan-3-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methylpropanamide is CC(C)C(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methylpropanamide?
The InChIKey is PXWCJUDFXALOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11).
What are the key properties of N-(furan-3-ylmethyl)-2-methylpropanamide?
N-(furan-3-ylmethyl)-2-methylpropanamide has a molecular weight of 167.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 59833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).