(3-acetamidophenyl) 2-methylfuran-3-carboxylate

C14H13NO4 — CID 671246

IUPAC(3-acetamidophenyl) 2-methylfuran-3-carboxylate
SMILESCC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H13NO4/c1-9-13(6-7-18-9)14(17)19-12-5-3-4-11(8-12)15-10(2)16/h3-8H,1-2H3,(H,15,16)
InChIKeyYESCZKKCQXCGBY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.77
Rot. Bonds3

About (3-acetamidophenyl) 2-methylfuran-3-carboxylate

(3-acetamidophenyl) 2-methylfuran-3-carboxylate (PubChem CID 671246) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (3-acetamidophenyl) 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(3-acetamidophenyl) 2-methylfuran-3-carboxylate
PubChem CID671246
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(3-acetamidophenyl) 2-methylfuran-3-carboxylate
SMILESCC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H13NO4/c1-9-13(6-7-18-9)14(17)19-12-5-3-4-11(8-12)15-10(2)16/h3-8H,1-2H3,(H,15,16)
InChIKeyYESCZKKCQXCGBY-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethopabate
CID 6034
Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
(2E)-3-(furan-2-yl)-N-(3-methoxyphenyl)prop-2-enamide
CID 963804
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-(3-Hydroxyphenyl)-2,5-dimethyl-3-furamide
CID 652108
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide
CID 701527
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
CID 726075
3-{3-[(2-Methyl-3-furoyl)amino]phenyl}acrylic acid
CID 777625
3-[(2-Methyl-3-furoyl)amino]benzoic acid
CID 778282
N-(2-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 887895
methyl 4-(2-furylmethylene)-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 1812724

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl) 2-methylfuran-3-carboxylate?
The IUPAC name of (3-acetamidophenyl) 2-methylfuran-3-carboxylate (CID 671246) is (3-acetamidophenyl) 2-methylfuran-3-carboxylate.
What is the SMILES notation for (3-acetamidophenyl) 2-methylfuran-3-carboxylate?
The canonical SMILES for (3-acetamidophenyl) 2-methylfuran-3-carboxylate is CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1.
What is the InChIKey of (3-acetamidophenyl) 2-methylfuran-3-carboxylate?
The InChIKey is YESCZKKCQXCGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-13(6-7-18-9)14(17)19-12-5-3-4-11(8-12)15-10(2)16/h3-8H,1-2H3,(H,15,16).
What are the key properties of (3-acetamidophenyl) 2-methylfuran-3-carboxylate?
(3-acetamidophenyl) 2-methylfuran-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl) 2-methylfuran-3-carboxylate is sourced from PubChem (CID 671246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).