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

C18H19NO4 — CID 120822622

IUPAC2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(C)Cc3ccccc3C2)cc1C(=O)O
InChIInChI=1S/C18H19NO4/c1-3-14-13(17(21)22)8-15(23-14)16(20)19-18(2)9-11-6-4-5-7-12(11)10-18/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySGSZUASESJEGML-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.83
Rot. Bonds4

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

2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120822622) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
PubChem CID120822622
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(C)Cc3ccccc3C2)cc1C(=O)O
InChIInChI=1S/C18H19NO4/c1-3-14-13(17(21)22)8-15(23-14)16(20)19-18(2)9-11-6-4-5-7-12(11)10-18/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySGSZUASESJEGML-UHFFFAOYSA-N
XLogP2.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
CID 120821464
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
CID 120821888
5-[[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821821
2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
CID 120821609
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120820643
2-ethyl-5-(2-phenylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822077

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid (CID 120822622) is 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2(C)Cc3ccccc3C2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is SGSZUASESJEGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-14-13(17(21)22)8-15(23-14)16(20)19-18(2)9-11-6-4-5-7-12(11)10-18/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).