N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide

C15H17NO3 — CID 1246637

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccoc1C
InChIInChI=1S/C15H17NO3/c1-11-13(8-10-19-11)15(17)16-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyXQJNRQAFDFTLIU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 1246637) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID1246637
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccoc1C
InChIInChI=1S/C15H17NO3/c1-11-13(8-10-19-11)15(17)16-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyXQJNRQAFDFTLIU-UHFFFAOYSA-N
XLogP2.57
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide (CID 1246637) is N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide is COc1ccccc1CCNC(=O)c1ccoc1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is XQJNRQAFDFTLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-13(8-10-19-11)15(17)16-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10H,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1246637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).