2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid

C17H19NO4 — CID 120820730

IUPAC2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)C(C)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H19NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18(3)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyZKUSPXRQHMTHTK-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.37
Rot. Bonds5

About 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120820730) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120820730
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)C(C)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H19NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18(3)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyZKUSPXRQHMTHTK-UHFFFAOYSA-N
XLogP3.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1,3-benzothiazol-2-yl)ethyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822544
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
CID 120821888
5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
2-ethyl-5-(2-phenylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822077
5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820658
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822701
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42943143
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid (CID 120820730) is 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)N(C)C(C)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is ZKUSPXRQHMTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-14-13(17(20)21)10-15(22-14)16(19)18(3)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120820730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).