3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide

C13H17NO4 — CID 22337752

IUPAC3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide
SMILESO=C(NO)C1CCCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C13H17NO4/c15-10-4-5-11(12(16)7-10)8-2-1-3-9(6-8)13(17)14-18/h4-5,7-9,15-16,18H,1-3,6H2,(H,14,17)
InChIKeyMPSUHRWTECGDSD-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.88
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide

3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide (PubChem CID 22337752) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide
PubChem CID22337752
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide
SMILESO=C(NO)C1CCCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C13H17NO4/c15-10-4-5-11(12(16)7-10)8-2-1-3-9(6-8)13(17)14-18/h4-5,7-9,15-16,18H,1-3,6H2,(H,14,17)
InChIKeyMPSUHRWTECGDSD-UHFFFAOYSA-N
XLogP1.88
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide (CID 22337752) is 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide is O=C(NO)C1CCCC(c2ccc(O)cc2O)C1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is MPSUHRWTECGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-10-4-5-11(12(16)7-10)8-2-1-3-9(6-8)13(17)14-18/h4-5,7-9,15-16,18H,1-3,6H2,(H,14,17).
What are the key properties of 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide?
3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 22337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).