N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide

C15H19N3O3 — CID 84570055

IUPACN-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-4-9-18(12(3)20)10-15(21)17-14-7-5-13(6-8-14)16-11(2)19/h4-8H,1,9-10H2,2-3H3,(H,16,19)(H,17,21)
InChIKeyDGVAQQSLPYHCBW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide

N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide (PubChem CID 84570055) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
PubChem CID84570055
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-4-9-18(12(3)20)10-15(21)17-14-7-5-13(6-8-14)16-11(2)19/h4-8H,1,9-10H2,2-3H3,(H,16,19)(H,17,21)
InChIKeyDGVAQQSLPYHCBW-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115680
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide (CID 84570055) is N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)=O.
What is the InChIKey of N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide?
The InChIKey is DGVAQQSLPYHCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-9-18(12(3)20)10-15(21)17-14-7-5-13(6-8-14)16-11(2)19/h4-8H,1,9-10H2,2-3H3,(H,16,19)(H,17,21).
What are the key properties of N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide?
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 84570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).