2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid

C18H21NO6 — CID 120821942

IUPAC2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1C(=O)O
InChIInChI=1S/C18H21NO6/c1-4-14-13(17(21)22)9-15(25-14)16(20)19-11-5-7-12(8-6-11)24-10-18(2,3)23/h5-9,23H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyGGZJJYLUHBQRRU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.94
Rot. Bonds7

About 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120821942) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120821942
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1C(=O)O
InChIInChI=1S/C18H21NO6/c1-4-14-13(17(21)22)9-15(25-14)16(20)19-11-5-7-12(8-6-11)24-10-18(2,3)23/h5-9,23H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyGGZJJYLUHBQRRU-UHFFFAOYSA-N
XLogP2.94
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822028
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
5-[[3-(tert-butylsulfonylmethyl)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821824
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
2-ethyl-5-[[2-(methoxymethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821047
2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 120821113
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid (CID 120821942) is 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is GGZJJYLUHBQRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-4-14-13(17(21)22)9-15(25-14)16(20)19-11-5-7-12(8-6-11)24-10-18(2,3)23/h5-9,23H,4,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).