2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide

C15H20N2O2 — CID 84566729

IUPAC2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C15H20N2O2/c1-5-9-17(13(4)18)10-15(19)16-14-8-6-7-11(2)12(14)3/h5-8H,1,9-10H2,2-4H3,(H,16,19)
InChIKeySCELTBYVGZDNOD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 84566729) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID84566729
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C15H20N2O2/c1-5-9-17(13(4)18)10-15(19)16-14-8-6-7-11(2)12(14)3/h5-8H,1,9-10H2,2-4H3,(H,16,19)
InChIKeySCELTBYVGZDNOD-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide
CID 8710067
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
2-(N-acetyl-4-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113167752
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 84566729) is 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide is C=CCN(CC(=O)Nc1cccc(C)c1C)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SCELTBYVGZDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-9-17(13(4)18)10-15(19)16-14-8-6-7-11(2)12(14)3/h5-8H,1,9-10H2,2-4H3,(H,16,19).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 84566729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).