1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide

C18H20N2O3 — CID 11631005

IUPAC1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-8-10-15(11-9-14)19-16(21)12-4-6-13(7-5-12)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGYMSRUYUXJKIQR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds3

About 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 11631005) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID11631005
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-8-10-15(11-9-14)19-16(21)12-4-6-13(7-5-12)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGYMSRUYUXJKIQR-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide (CID 11631005) is 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is GYMSRUYUXJKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)14-8-10-15(11-9-14)19-16(21)12-4-6-13(7-5-12)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 11631005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).