5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid

C17H19NO5 — CID 788752

IUPAC5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H19NO5/c1-9-11(8-14(23-9)17(2,3)4)15(20)18-10-5-6-13(19)12(7-10)16(21)22/h5-8,19H,1-4H3,(H,18,20)(H,21,22)
InChIKeyJBBILUYGMKLWOY-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.54
Rot. Bonds3

About 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid

5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 788752) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID788752
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H19NO5/c1-9-11(8-14(23-9)17(2,3)4)15(20)18-10-5-6-13(19)12(7-10)16(21)22/h5-8,19H,1-4H3,(H,18,20)(H,21,22)
InChIKeyJBBILUYGMKLWOY-UHFFFAOYSA-N
XLogP3.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
CID 2742902
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
CID 748446
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid (CID 788752) is 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid is Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is JBBILUYGMKLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-9-11(8-14(23-9)17(2,3)4)15(20)18-10-5-6-13(19)12(7-10)16(21)22/h5-8,19H,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid?
5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 317.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 788752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).