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

C17H27NO2 — CID 705477

IUPACN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-10(2)13-8-12(18-16(20)17(5,6)7)9-14(11(3)4)15(13)19/h8-11,19H,1-7H3,(H,18,20)
InChIKeyKNHGGYIZWSPSCI-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.62
Rot. Bonds3

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

N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 705477) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID705477
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-10(2)13-8-12(18-16(20)17(5,6)7)9-14(11(3)4)15(13)19/h8-11,19H,1-7H3,(H,18,20)
InChIKeyKNHGGYIZWSPSCI-UHFFFAOYSA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.62
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]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

Fenretinide
CID 5288209
4-Acetamido-2-methylphenol
CID 85384
N-(3,5-di-tert-butyl-4-hydroxyphenyl)acetamide
CID 884872
4-Acetamido-2-diethylaminomethylphenol
CID 224175
N-(4-Hydroxy-3,5-bis(1-methylethyl)phenyl)acetamide
CID 835028
13-cis-Fenretinide
CID 6440160
4-Oxofenretinide
CID 11258242
N-(4-Hydroxy-3,5-dimethylphenyl)acetamide
CID 89896
N-(4-hydroxy-2,6-dimethylphenyl)acetamide
CID 80641
N-(4-hydroxy-2-isopropyl-5-methylphenyl)-3-phenylacrylamide
CID 706322
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 1744

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide (CID 705477) is N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O.
What is the InChIKey of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is KNHGGYIZWSPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10(2)13-8-12(18-16(20)17(5,6)7)9-14(11(3)4)15(13)19/h8-11,19H,1-7H3,(H,18,20).
What are the key properties of N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 4.62, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 705477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).