4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid

C14H14N2O4 — CID 61199818

IUPAC4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
SMILESCC(NC(=O)Nc1ccc(C(=O)O)cc1)c1ccco1
InChIInChI=1S/C14H14N2O4/c1-9(12-3-2-8-20-12)15-14(19)16-11-6-4-10(5-7-11)13(17)18/h2-9H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRZPISYDKSKLYTJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.86
Rot. Bonds4

About 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid

4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid (PubChem CID 61199818) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
PubChem CID61199818
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
SMILESCC(NC(=O)Nc1ccc(C(=O)O)cc1)c1ccco1
InChIInChI=1S/C14H14N2O4/c1-9(12-3-2-8-20-12)15-14(19)16-11-6-4-10(5-7-11)13(17)18/h2-9H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRZPISYDKSKLYTJ-UHFFFAOYSA-N
XLogP2.86
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
CID 61197373
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61197379
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
3-[[1-(furan-2-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 61199837
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482244
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The IUPAC name of 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid (CID 61199818) is 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid is CC(NC(=O)Nc1ccc(C(=O)O)cc1)c1ccco1.
What is the InChIKey of 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The InChIKey is RZPISYDKSKLYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(12-3-2-8-20-12)15-14(19)16-11-6-4-10(5-7-11)13(17)18/h2-9H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 61199818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).