2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide

C12H18N2O2 — CID 65103911

IUPAC2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZJSCEXNZWOCKHL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65103911) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65103911
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZJSCEXNZWOCKHL-UHFFFAOYSA-N
XLogP0.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65103911) is 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is ZJSCEXNZWOCKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65103911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).