N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide

C14H21NO2 — CID 835028

IUPACN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-8(2)12-6-11(15-10(5)16)7-13(9(3)4)14(12)17/h6-9,17H,1-5H3,(H,15,16)
InChIKeyPHSJJLICQTWSOW-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.60
Rot. Bonds3

About N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide

N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide (PubChem CID 835028) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
PubChem CID835028
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-8(2)12-6-11(15-10(5)16)7-13(9(3)4)14(12)17/h6-9,17H,1-5H3,(H,15,16)
InChIKeyPHSJJLICQTWSOW-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide (CID 835028) is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1.
What is the InChIKey of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The InChIKey is PHSJJLICQTWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8(2)12-6-11(15-10(5)16)7-13(9(3)4)14(12)17/h6-9,17H,1-5H3,(H,15,16).
What are the key properties of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 835028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).