4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid

C14H13NO5 — CID 62273259

IUPAC4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H13NO5/c1-8-10(6-12(20-8)14(17)18)7-19-11-4-2-9(3-5-11)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyRYVKBSYIFSNJOA-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.96
Rot. Bonds5

About 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid

4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62273259) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
PubChem CID62273259
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H13NO5/c1-8-10(6-12(20-8)14(17)18)7-19-11-4-2-9(3-5-11)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyRYVKBSYIFSNJOA-UHFFFAOYSA-N
XLogP1.96
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'furan_acid_A(4)', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
4-[(4-bromo-3-fluorophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 65203374
ethane;4-[[4-[(3E,6E)-7-methoxyocta-3,6-dien-3-yl]phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 142927156
4-[[4-(4-acetylphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;methyl 4-[(4-iodophenoxy)methyl]-5-methylfuran-2-carboxylate
CID 158364687
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
CID 62274131
5-methyl-4-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 62273090
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931392

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid (CID 62273259) is 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is RYVKBSYIFSNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8-10(6-12(20-8)14(17)18)7-19-11-4-2-9(3-5-11)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62273259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).