3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide

C13H20N2O2 — CID 65264564

IUPAC3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-12(2,13(3,4)14)11(17)15-9-5-7-10(16)8-6-9/h5-8,16H,14H2,1-4H3,(H,15,17)
InChIKeyGLQCZPBWVYNSNQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide

3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide (PubChem CID 65264564) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
PubChem CID65264564
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-12(2,13(3,4)14)11(17)15-9-5-7-10(16)8-6-9/h5-8,16H,14H2,1-4H3,(H,15,17)
InChIKeyGLQCZPBWVYNSNQ-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
CID 65269737
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943
N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide
CID 70858624
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
3-amino-2,2,3-trimethyl-N-(1H-pyrazol-4-yl)butanamide
CID 65264992
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide (CID 65264564) is 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide?
The InChIKey is GLQCZPBWVYNSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(2,13(3,4)14)11(17)15-9-5-7-10(16)8-6-9/h5-8,16H,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).