5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

C21H21NO4 — CID 2942268

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)c2ccccc2)o1
InChIInChI=1S/C21H21NO4/c1-15(16-8-4-3-5-9-16)22-21(23)20-13-12-17(26-20)14-25-19-11-7-6-10-18(19)24-2/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyAUBJVIKLEGJDSZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.36
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 2942268) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID2942268
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)c2ccccc2)o1
InChIInChI=1S/C21H21NO4/c1-15(16-8-4-3-5-9-16)22-21(23)20-13-12-17(26-20)14-25-19-11-7-6-10-18(19)24-2/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyAUBJVIKLEGJDSZ-UHFFFAOYSA-N
XLogP4.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 2942268) is 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NC(C)c2ccccc2)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is AUBJVIKLEGJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15(16-8-4-3-5-9-16)22-21(23)20-13-12-17(26-20)14-25-19-11-7-6-10-18(19)24-2/h3-13,15H,14H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 2942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).