5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C16H17NO4 — CID 120820558

IUPAC5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-4-13-11(16(19)20)8-14(21-13)15(18)17-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXCXVQFWKCNWQPR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.41
Rot. Bonds4

About 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120820558) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120820558
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-4-13-11(16(19)20)8-14(21-13)15(18)17-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXCXVQFWKCNWQPR-UHFFFAOYSA-N
XLogP3.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 120821113
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821177
2-ethyl-5-[[2-(methoxymethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821047
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120820558) is 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)Nc2ccc(C)cc2C)cc1C(=O)O.
What is the InChIKey of 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is XCXVQFWKCNWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-13-11(16(19)20)8-14(21-13)15(18)17-12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120820558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).