2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide

C14H22N2O — CID 113266165

IUPAC2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-11(4-2)10-16-14(17)9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyLGQNNBCOTXUNOU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide

2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide (PubChem CID 113266165) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
PubChem CID113266165
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-11(4-2)10-16-14(17)9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyLGQNNBCOTXUNOU-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
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
2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
CID 119811875
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
CID 81073117
2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119719526
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737569
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide (CID 113266165) is 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide is CCC(CC)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide?
The InChIKey is LGQNNBCOTXUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11(4-2)10-16-14(17)9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide?
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.36, 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-ethylbutyl)acetamide is sourced from PubChem (CID 113266165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).