2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide

C12H16N2O — CID 114614956

IUPAC2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)8-14-12(15)7-10-3-5-11(13)6-4-10/h3-6H,1,7-8,13H2,2H3,(H,14,15)
InChIKeyQUJLGYMYMGHWMK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide

2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114614956) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID114614956
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)8-14-12(15)7-10-3-5-11(13)6-4-10/h3-6H,1,7-8,13H2,2H3,(H,14,15)
InChIKeyQUJLGYMYMGHWMK-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
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-ethylbutyl)acetamide
CID 113266165
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide (CID 114614956) is 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is QUJLGYMYMGHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)8-14-12(15)7-10-3-5-11(13)6-4-10/h3-6H,1,7-8,13H2,2H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide?
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.50, 4 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-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114614956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).