N-butyl-N-(furan-3-yl)-2-methylpropanamide

C12H19NO2 — CID 54544400

IUPACN-butyl-N-(furan-3-yl)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1ccoc1
InChIInChI=1S/C12H19NO2/c1-4-5-7-13(12(14)10(2)3)11-6-8-15-9-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyZFNLKLCZXKBLFZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.07
Rot. Bonds5

About N-butyl-N-(furan-3-yl)-2-methylpropanamide

N-butyl-N-(furan-3-yl)-2-methylpropanamide (PubChem CID 54544400) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-butyl-N-(furan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-(furan-3-yl)-2-methylpropanamide
PubChem CID54544400
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-butyl-N-(furan-3-yl)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1ccoc1
InChIInChI=1S/C12H19NO2/c1-4-5-7-13(12(14)10(2)3)11-6-8-15-9-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyZFNLKLCZXKBLFZ-UHFFFAOYSA-N
XLogP3.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-3-yl)-2-methylpropanamide?
The IUPAC name of N-butyl-N-(furan-3-yl)-2-methylpropanamide (CID 54544400) is N-butyl-N-(furan-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-(furan-3-yl)-2-methylpropanamide?
The canonical SMILES for N-butyl-N-(furan-3-yl)-2-methylpropanamide is CCCCN(C(=O)C(C)C)c1ccoc1.
What is the InChIKey of N-butyl-N-(furan-3-yl)-2-methylpropanamide?
The InChIKey is ZFNLKLCZXKBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-7-13(12(14)10(2)3)11-6-8-15-9-11/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of N-butyl-N-(furan-3-yl)-2-methylpropanamide?
N-butyl-N-(furan-3-yl)-2-methylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 54544400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).