N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide

C19H31NO2 — CID 171977413

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-17(2,3)13-10-12(20-16(22)19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22)
InChIKeyBLYNAQUXKOFREK-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.97
Rot. Bonds1

About N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 171977413) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID171977413
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-17(2,3)13-10-12(20-16(22)19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22)
InChIKeyBLYNAQUXKOFREK-UHFFFAOYSA-N
XLogP4.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-ditert-butyl-4-hydroxyphenyl)-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

5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
4-(3,5-ditert-butyl-4-hydroxyanilino)-2-methylidene-4-oxobutanoic acid
CID 21321063
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
CID 71325318
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
CID 15170949
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
N-[3-tert-butyl-4-hydroxy-5-(2-methylpentan-2-yl)phenyl]prop-2-enamide
CID 21321077
N-tert-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanamide
CID 15537310

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide (CID 171977413) is N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is BLYNAQUXKOFREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-17(2,3)13-10-12(20-16(22)19(7,8)9)11-14(15(13)21)18(4,5)6/h10-11,21H,1-9H3,(H,20,22).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 305.46 g/mol, XLogP of 4.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 171977413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).