2-(4-aminophenyl)propanamide

C9H12N2O — CID 12805228

IUPAC2-(4-aminophenyl)propanamide
SMILESCC(C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H2,11,12)
InChIKeyYVUJUJYBPUQLQU-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.86
Rot. Bonds2

About 2-(4-aminophenyl)propanamide

2-(4-aminophenyl)propanamide (PubChem CID 12805228) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(4-aminophenyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)propanamide
PubChem CID12805228
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(4-aminophenyl)propanamide
SMILESCC(C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H2,11,12)
InChIKeyYVUJUJYBPUQLQU-UHFFFAOYSA-N
XLogP0.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aminoglutethimide
CID 2145
p-Aminopropiophenone
CID 6270
4-Isopropylaniline
CID 7464
4-Aminobenzamide
CID 76079
p-Aminoacetophenone
CID 7468
1-Butanone, 1-(4-aminophenyl)-
CID 15527
4-Aminohydratropic acid
CID 43026
2-(4-Aminophenyl)butanoic acid
CID 34655
3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione
CID 124662
3-(4-Aminophenyl)-3-methylpyrrolidine-2,5-dione
CID 13596072
1-(4-Aminophenyl)-1-hexanone
CID 37983
1-(4-Aminophenyl)-1-pentanone
CID 161959

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)propanamide (CID 12805228) is 2-(4-aminophenyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)propanamide is CC(C(N)=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)propanamide?
The InChIKey is YVUJUJYBPUQLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H2,11,12).
What are the key properties of 2-(4-aminophenyl)propanamide?
2-(4-aminophenyl)propanamide has a molecular weight of 164.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)propanamide is sourced from PubChem (CID 12805228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).