2-(4-aminophenyl)-N-but-3-en-2-ylacetamide

C12H16N2O — CID 115739603

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

About 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide

2-(4-aminophenyl)-N-but-3-en-2-ylacetamide (PubChem CID 115739603) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
PubChem CID115739603
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
SMILESC=CC(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H16N2O/c1-3-9(2)14-12(15)8-10-4-6-11(13)7-5-10/h3-7,9H,1,8,13H2,2H3,(H,14,15)
InChIKeyUHZSKFKXZZEKPA-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

methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
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-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
sodium (2S)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 126797103
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide (CID 115739603) is 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide is C=CC(C)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide?
The InChIKey is UHZSKFKXZZEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-9(2)14-12(15)8-10-4-6-11(13)7-5-10/h3-7,9H,1,8,13H2,2H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)-N-but-3-en-2-ylacetamide?
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide 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-but-3-en-2-ylacetamide is sourced from PubChem (CID 115739603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).