5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

C14H20N2O5 — CID 82939590

IUPAC5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(O)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O5/c1-9(2)16(6-7-21-3)14(20)15-12-5-4-10(17)8-11(12)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyJDEKHCFMVSAFRI-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.98
Rot. Bonds6

About 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 82939590) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID82939590
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(O)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O5/c1-9(2)16(6-7-21-3)14(20)15-12-5-4-10(17)8-11(12)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyJDEKHCFMVSAFRI-UHFFFAOYSA-N
XLogP1.98
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.98
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-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82938292
4-bromo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939588
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61405805
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-bromo-2-[[ethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62072477
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (CID 82939590) is 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is COCCN(C(=O)Nc1ccc(O)cc1C(=O)O)C(C)C.
What is the InChIKey of 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is JDEKHCFMVSAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(2)16(6-7-21-3)14(20)15-12-5-4-10(17)8-11(12)13(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 82939590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).