5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid

C15H15NO4 — CID 104607465

IUPAC5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)co1)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4/c1-3-16(12-6-4-10(2)5-7-12)14(17)13-8-11(9-20-13)15(18)19/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyWJDXTPONXOJHCU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.95
Rot. Bonds4

About 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid

5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607465) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607465
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)co1)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4/c1-3-16(12-6-4-10(2)5-7-12)14(17)13-8-11(9-20-13)15(18)19/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyWJDXTPONXOJHCU-UHFFFAOYSA-N
XLogP2.95
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
CID 104607143
5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
5-acetylfuran-3-carboxylic acid
CID 10654434
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607291

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607465) is 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid is CCN(C(=O)c1cc(C(=O)O)co1)c1ccc(C)cc1.
What is the InChIKey of 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is WJDXTPONXOJHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-16(12-6-4-10(2)5-7-12)14(17)13-8-11(9-20-13)15(18)19/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).