4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide

C14H18N2O3 — CID 61062671

IUPAC4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)COCC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-9-15-14(18)11-5-7-12(8-6-11)16-13(17)10-19-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H,16,17)
InChIKeyRZPPEVAFMDHTSH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.58
Rot. Bonds7

About 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide

4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide (PubChem CID 61062671) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
PubChem CID61062671
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)COCC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-9-15-14(18)11-5-7-12(8-6-11)16-13(17)10-19-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H,16,17)
InChIKeyRZPPEVAFMDHTSH-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.58
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

4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
N-ethyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169590
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 62853093
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide (CID 61062671) is 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)COCC)cc1.
What is the InChIKey of 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is RZPPEVAFMDHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-9-15-14(18)11-5-7-12(8-6-11)16-13(17)10-19-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide?
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 61062671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).