N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide

C15H17NO4 — CID 24980889

IUPACN-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C)o1
InChIInChI=1S/C15H17NO4/c1-11-7-8-14(20-11)15(17)16-9-10-19-13-6-4-3-5-12(13)18-2/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyDNQQEPXBQMCJJG-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 24980889) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide
PubChem CID24980889
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C)o1
InChIInChI=1S/C15H17NO4/c1-11-7-8-14(20-11)15(17)16-9-10-19-13-6-4-3-5-12(13)18-2/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyDNQQEPXBQMCJJG-UHFFFAOYSA-N
XLogP2.41
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide (CID 24980889) is N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide is COc1ccccc1OCCNC(=O)c1ccc(C)o1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is DNQQEPXBQMCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-7-8-14(20-11)15(17)16-9-10-19-13-6-4-3-5-12(13)18-2/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 24980889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).