3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide

C17H18N2O4 — CID 164615741

IUPAC3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESCc1cc(C)cc(CONC(=O)c2cccc(C(=O)NO)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11-6-12(2)8-13(7-11)10-23-19-17(21)15-5-3-4-14(9-15)16(20)18-22/h3-9,22H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQYFNCEHCGFQXFP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.28
Rot. Bonds5

About 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide

3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 164615741) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID164615741
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESCc1cc(C)cc(CONC(=O)c2cccc(C(=O)NO)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11-6-12(2)8-13(7-11)10-23-19-17(21)15-5-3-4-14(9-15)16(20)18-22/h3-9,22H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQYFNCEHCGFQXFP-UHFFFAOYSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
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-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide (CID 164615741) is 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide is Cc1cc(C)cc(CONC(=O)c2cccc(C(=O)NO)c2)c1.
What is the InChIKey of 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is QYFNCEHCGFQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-6-12(2)8-13(7-11)10-23-19-17(21)15-5-3-4-14(9-15)16(20)18-22/h3-9,22H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,5-dimethylphenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 164615741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).