ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate

C16H20N2O4 — CID 84570057

IUPACethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
SMILESC=CCN(CC(=O)Nc1ccccc1C(=O)OCC)C(C)=O
InChIInChI=1S/C16H20N2O4/c1-4-10-18(12(3)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-5-2/h4,6-9H,1,5,10-11H2,2-3H3,(H,17,20)
InChIKeyWYLZSYCDDWJKHB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.84
Rot. Bonds7

About ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate

ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate (PubChem CID 84570057) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
PubChem CID84570057
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
SMILESC=CCN(CC(=O)Nc1ccccc1C(=O)OCC)C(C)=O
InChIInChI=1S/C16H20N2O4/c1-4-10-18(12(3)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-5-2/h4,6-9H,1,5,10-11H2,2-3H3,(H,17,20)
InChIKeyWYLZSYCDDWJKHB-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162670
ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162313
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 113158287
ethyl 2-[[3-oxo-3-(prop-2-enylamino)propanoyl]amino]benzoate
CID 108941345
ethyl 2-(propanoylamino)benzoate
CID 4190428
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
ethyl 2-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147638
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate (CID 84570057) is ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate is C=CCN(CC(=O)Nc1ccccc1C(=O)OCC)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate?
The InChIKey is WYLZSYCDDWJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-10-18(12(3)19)11-15(20)17-14-9-7-6-8-13(14)16(21)22-5-2/h4,6-9H,1,5,10-11H2,2-3H3,(H,17,20).
What are the key properties of ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate?
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate has a molecular weight of 304.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 84570057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).