2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C13H20N2O2 — CID 79248650

IUPAC2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMEAMKBZLKXERSM-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.94
Rot. Bonds5

About 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79248650) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79248650
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMEAMKBZLKXERSM-UHFFFAOYSA-N
XLogP0.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.94
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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-nitrophenyl)acetamide
CID 79247463
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 54852716
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
sodium (2S)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 126797103
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79248650) is 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is MEAMKBZLKXERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79248650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).