N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide

C17H20N2O2 — CID 6457852

IUPACN-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2O)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)12-6-4-11(5-7-12)16(21)19-14-9-8-13(18)10-15(14)20/h4-10,20H,18H2,1-3H3,(H,19,21)
InChIKeyWSLVIMPUVVAKJQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds2

About N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide

N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide (PubChem CID 6457852) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide
PubChem CID6457852
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2O)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)12-6-4-11(5-7-12)16(21)19-14-9-8-13(18)10-15(14)20/h4-10,20H,18H2,1-3H3,(H,19,21)
InChIKeyWSLVIMPUVVAKJQ-UHFFFAOYSA-N
XLogP3.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide (CID 6457852) is N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2O)cc1.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide?
The InChIKey is WSLVIMPUVVAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)12-6-4-11(5-7-12)16(21)19-14-9-8-13(18)10-15(14)20/h4-10,20H,18H2,1-3H3,(H,19,21).
What are the key properties of N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide?
N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 6457852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).