N-(furan-3-ylmethyl)butanamide

C9H13NO2 — CID 110868877

IUPACN-(furan-3-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ccoc1
InChIInChI=1S/C9H13NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyMVYBGZDMCZZGST-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.70
Rot. Bonds4

About N-(furan-3-ylmethyl)butanamide

N-(furan-3-ylmethyl)butanamide (PubChem CID 110868877) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)butanamide
PubChem CID110868877
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(furan-3-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ccoc1
InChIInChI=1S/C9H13NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyMVYBGZDMCZZGST-UHFFFAOYSA-N
XLogP1.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.70
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)butanamide?
The IUPAC name of N-(furan-3-ylmethyl)butanamide (CID 110868877) is N-(furan-3-ylmethyl)butanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)butanamide?
The canonical SMILES for N-(furan-3-ylmethyl)butanamide is CCCC(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)butanamide?
The InChIKey is MVYBGZDMCZZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-(furan-3-ylmethyl)butanamide?
N-(furan-3-ylmethyl)butanamide has a molecular weight of 167.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)butanamide is sourced from PubChem (CID 110868877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).