N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide

C20H33NO2 — CID 70858624

IUPACN-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide
SMILESCCC(C)(C)CC(C)(C(=O)Nc1ccc(O)cc1)C(C)(C)CC
InChIInChI=1S/C20H33NO2/c1-8-18(3,4)14-20(7,19(5,6)9-2)17(23)21-15-10-12-16(22)13-11-15/h10-13,22H,8-9,14H2,1-7H3,(H,21,23)
InChIKeyMWBCLEMGWOUVQO-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.60
Rot. Bonds7

About N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide

N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide (PubChem CID 70858624) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide
PubChem CID70858624
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide
SMILESCCC(C)(C)CC(C)(C(=O)Nc1ccc(O)cc1)C(C)(C)CC
InChIInChI=1S/C20H33NO2/c1-8-18(3,4)14-20(7,19(5,6)9-2)17(23)21-15-10-12-16(22)13-11-15/h10-13,22H,8-9,14H2,1-7H3,(H,21,23)
InChIKeyMWBCLEMGWOUVQO-UHFFFAOYSA-N
XLogP5.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide 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

1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
CID 134463643
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
[(2S)-3-hydroxy-1-(4-hydroxyanilino)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 69120648
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
N-(4-hydroxyphenyl)-2-triethylsilylacetamide
CID 101420020
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide?
The IUPAC name of N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide (CID 70858624) is N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide is CCC(C)(C)CC(C)(C(=O)Nc1ccc(O)cc1)C(C)(C)CC.
What is the InChIKey of N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide?
The InChIKey is MWBCLEMGWOUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-8-18(3,4)14-20(7,19(5,6)9-2)17(23)21-15-10-12-16(22)13-11-15/h10-13,22H,8-9,14H2,1-7H3,(H,21,23).
What are the key properties of N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide?
N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide has a molecular weight of 319.49 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide is sourced from PubChem (CID 70858624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).