3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid

C15H16N2O4 — CID 61420973

IUPAC3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O4/c1-2-17(10-13-7-4-8-21-13)15(20)16-12-6-3-5-11(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyLRMSTRDDWXYXGN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.03
Rot. Bonds5

About 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid

3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid (PubChem CID 61420973) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
PubChem CID61420973
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
SMILESCCN(Cc1ccco1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O4/c1-2-17(10-13-7-4-8-21-13)15(20)16-12-6-3-5-11(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyLRMSTRDDWXYXGN-UHFFFAOYSA-N
XLogP3.03
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743357
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid (CID 61420973) is 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid is CCN(Cc1ccco1)C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The InChIKey is LRMSTRDDWXYXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-17(10-13-7-4-8-21-13)15(20)16-12-6-3-5-11(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid?
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid has a molecular weight of 288.30 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 3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61420973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).