2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide

C19H22N2O5 — CID 164887538

IUPAC2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)NO)cc2)c(O)cc1O
InChIInChI=1S/C19H22N2O5/c1-11(2)14-8-15(17(23)9-16(14)22)19(25)21(3)10-12-4-6-13(7-5-12)18(24)20-26/h4-9,11,22-23,26H,10H2,1-3H3,(H,20,24)
InChIKeyPDCLLGDACURYDE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.61
Rot. Bonds5

About 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide

2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide (PubChem CID 164887538) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide
PubChem CID164887538
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)NO)cc2)c(O)cc1O
InChIInChI=1S/C19H22N2O5/c1-11(2)14-8-15(17(23)9-16(14)22)19(25)21(3)10-12-4-6-13(7-5-12)18(24)20-26/h4-9,11,22-23,26H,10H2,1-3H3,(H,20,24)
InChIKeyPDCLLGDACURYDE-UHFFFAOYSA-N
XLogP2.61
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide (CID 164887538) is 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)NO)cc2)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide?
The InChIKey is PDCLLGDACURYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(2)14-8-15(17(23)9-16(14)22)19(25)21(3)10-12-4-6-13(7-5-12)18(24)20-26/h4-9,11,22-23,26H,10H2,1-3H3,(H,20,24).
What are the key properties of 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide?
2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide has a molecular weight of 358.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 164887538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).