2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride

C16H27ClN2O — CID 119820240

IUPAC2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)10-16(3,4)11-18-15(19)9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyAKTGZSVWCXSLKN-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride (PubChem CID 119820240) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
PubChem CID119820240
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)10-16(3,4)11-18-15(19)9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyAKTGZSVWCXSLKN-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride 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

2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
N-(2-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119628469
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride (CID 119820240) is 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride is CC(C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The InChIKey is AKTGZSVWCXSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12(2)10-16(3,4)11-18-15(19)9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride is sourced from PubChem (CID 119820240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).