2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide

C14H22N2O — CID 64569589

IUPAC2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11(3)9-16-14(17)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyBHIDQLZGQRLZCO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide

2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide (PubChem CID 64569589) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
PubChem CID64569589
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11(3)9-16-14(17)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyBHIDQLZGQRLZCO-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.22
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'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
CID 119811875
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide (CID 64569589) is 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide is CC(C)C(C)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide?
The InChIKey is BHIDQLZGQRLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11(3)9-16-14(17)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide?
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide is sourced from PubChem (CID 64569589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).