2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C15H17NO4 — CID 110690655

IUPAC2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2ccco2)cc1
InChIInChI=1S/C15H17NO4/c1-18-12-4-6-13(7-5-12)20-10-8-16-15(17)11-14-3-2-9-19-14/h2-7,9H,8,10-11H2,1H3,(H,16,17)
InChIKeyLBJNCIGIVVNMSV-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.03
Rot. Bonds7

About 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 110690655) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID110690655
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2ccco2)cc1
InChIInChI=1S/C15H17NO4/c1-18-12-4-6-13(7-5-12)20-10-8-16-15(17)11-14-3-2-9-19-14/h2-7,9H,8,10-11H2,1H3,(H,16,17)
InChIKeyLBJNCIGIVVNMSV-UHFFFAOYSA-N
XLogP2.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.03
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 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 110690655) is 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)Cc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is LBJNCIGIVVNMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-4-6-13(7-5-12)20-10-8-16-15(17)11-14-3-2-9-19-14/h2-7,9H,8,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 275.30 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 110690655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).