3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide

C18H19NO3 — CID 17086754

IUPAC3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C18H19NO3/c1-3-11-22-17-10-6-8-15(13-17)19-18(20)14-7-5-9-16(12-14)21-4-2/h3,5-10,12-13H,1,4,11H2,2H3,(H,19,20)
InChIKeyDIXXDCZEWSDVCA-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.90
Rot. Bonds7

About 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide

3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086754) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086754
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C18H19NO3/c1-3-11-22-17-10-6-8-15(13-17)19-18(20)14-7-5-9-16(12-14)21-4-2/h3,5-10,12-13H,1,4,11H2,2H3,(H,19,20)
InChIKeyDIXXDCZEWSDVCA-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086754) is 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2cccc(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is DIXXDCZEWSDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-11-22-17-10-6-8-15(13-17)19-18(20)14-7-5-9-16(12-14)21-4-2/h3,5-10,12-13H,1,4,11H2,2H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).