2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide

C17H28N2O2 — CID 80555177

IUPAC2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-17(5,21)11-19-15(20)16(3,4)13-6-8-14(18)9-7-13/h6-9,12,21H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyFFFHWIPMZHLBHQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide (PubChem CID 80555177) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
PubChem CID80555177
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-17(5,21)11-19-15(20)16(3,4)13-6-8-14(18)9-7-13/h6-9,12,21H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyFFFHWIPMZHLBHQ-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 81316339
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 111486402
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide (CID 80555177) is 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide is CC(C)CC(C)(O)CNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide?
The InChIKey is FFFHWIPMZHLBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)10-17(5,21)11-19-15(20)16(3,4)13-6-8-14(18)9-7-13/h6-9,12,21H,10-11,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.46, 6 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-2,4-dimethylpentyl)-2-methylpropanamide is sourced from PubChem (CID 80555177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).