3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid

C15H15NO4 — CID 75482711

IUPAC3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
SMILESCCN(Cc1ccoc1)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-2-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyVROXZFPUPLOKHE-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.64
Rot. Bonds5

About 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid

3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid (PubChem CID 75482711) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
PubChem CID75482711
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
SMILESCCN(Cc1ccoc1)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-2-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyVROXZFPUPLOKHE-UHFFFAOYSA-N
XLogP2.64
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 71914810
3-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 61422425
5-acetyl-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269988
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10205502
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269978
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid (CID 75482711) is 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid is CCN(Cc1ccoc1)C(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid?
The InChIKey is VROXZFPUPLOKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid?
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 75482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).