2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid

C19H19NO5 — CID 120822841

IUPAC2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1C(=O)O
InChIInChI=1S/C19H19NO5/c1-4-14-13(19(22)23)9-16(24-14)18(21)20-11(3)17-10(2)12-7-5-6-8-15(12)25-17/h5-9,11H,4H2,1-3H3,(H,20,21)(H,22,23)/t11-/m0/s1
InChIKeyIFHMETRUVFCENN-NSHDSACASA-N
MW341.36 g/mol
LogP4.09
Rot. Bonds5

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

2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120822841) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120822841
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1C(=O)O
InChIInChI=1S/C19H19NO5/c1-4-14-13(19(22)23)9-16(24-14)18(21)20-11(3)17-10(2)12-7-5-6-8-15(12)25-17/h5-9,11H,4H2,1-3H3,(H,20,21)(H,22,23)/t11-/m0/s1
InChIKeyIFHMETRUVFCENN-NSHDSACASA-N
XLogP4.09
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
CID 120820706
5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821756
2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821937
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 112837432
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
2-ethyl-5-(2-phenylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822077
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
CID 97230701
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid (CID 120822841) is 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is IFHMETRUVFCENN-NSHDSACASA-N. The full InChI is InChI=1S/C19H19NO5/c1-4-14-13(19(22)23)9-16(24-14)18(21)20-11(3)17-10(2)12-7-5-6-8-15(12)25-17/h5-9,11H,4H2,1-3H3,(H,20,21)(H,22,23)/t11-/m0/s1.
What are the key properties of 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).