5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C17H21NO4 — CID 19463380

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C17H21NO4/c1-12-8-13(2)10-15(9-12)21-11-14-4-5-16(22-14)17(19)18-6-7-20-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19)
InChIKeyFXOCWFITWOCTLW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.85
Rot. Bonds7

About 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 19463380) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID19463380
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C17H21NO4/c1-12-8-13(2)10-15(9-12)21-11-14-4-5-16(22-14)17(19)18-6-7-20-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19)
InChIKeyFXOCWFITWOCTLW-UHFFFAOYSA-N
XLogP2.85
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.85
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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Related Compounds

5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 19465699
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19295449
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 19463380) is 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is FXOCWFITWOCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12-8-13(2)10-15(9-12)21-11-14-4-5-16(22-14)17(19)18-6-7-20-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 19463380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).