N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide

C15H17NO3 — CID 2583148

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H17NO3/c1-11-5-6-13(10-12(11)2)18-9-7-16-15(17)14-4-3-8-19-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyAZSPPQJDEBDQDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide

N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 2583148) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide
PubChem CID2583148
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H17NO3/c1-11-5-6-13(10-12(11)2)18-9-7-16-15(17)14-4-3-8-19-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyAZSPPQJDEBDQDA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide (CID 2583148) is N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide is Cc1ccc(OCCNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is AZSPPQJDEBDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-5-6-13(10-12(11)2)18-9-7-16-15(17)14-4-3-8-19-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide?
N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2583148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).