5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide

C19H25NO4 — CID 2166253

IUPAC5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1
InChIInChI=1S/C19H25NO4/c1-4-6-14-7-9-16(18(12-14)22-3)23-13-15-8-10-17(24-15)19(21)20-11-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21)
InChIKeyLZMZQXSSJLBDFF-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.96
Rot. Bonds9

About 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide

5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide (PubChem CID 2166253) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
PubChem CID2166253
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1
InChIInChI=1S/C19H25NO4/c1-4-6-14-7-9-16(18(12-14)22-3)23-13-15-8-10-17(24-15)19(21)20-11-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21)
InChIKeyLZMZQXSSJLBDFF-UHFFFAOYSA-N
XLogP3.96
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide (CID 2166253) is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1.
What is the InChIKey of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The InChIKey is LZMZQXSSJLBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-6-14-7-9-16(18(12-14)22-3)23-13-15-8-10-17(24-15)19(21)20-11-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21).
What are the key properties of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide?
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 2166253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).