2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid

C16H17NO4 — CID 120820547

IUPAC2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-13-12(16(19)20)9-14(21-13)15(18)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAJEKSQBQAZFTNG-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.03
Rot. Bonds5

About 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120820547) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
PubChem CID120820547
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-13-12(16(19)20)9-14(21-13)15(18)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAJEKSQBQAZFTNG-UHFFFAOYSA-N
XLogP3.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
CID 120820706
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821937
5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821756
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
CID 120821888
2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
CID 120820730
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
CID 120821852
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid (CID 120820547) is 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NC(C)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is AJEKSQBQAZFTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-13-12(16(19)20)9-14(21-13)15(18)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).