3-ethoxy-N-prop-2-enylbenzamide

C12H15NO2 — CID 4957446

IUPAC3-ethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(OCC)c1
InChIInChI=1S/C12H15NO2/c1-3-8-13-12(14)10-6-5-7-11(9-10)15-4-2/h3,5-7,9H,1,4,8H2,2H3,(H,13,14)
InChIKeyOGEKDPVKWRHWKT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds5

About 3-ethoxy-N-prop-2-enylbenzamide

3-ethoxy-N-prop-2-enylbenzamide (PubChem CID 4957446) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-prop-2-enylbenzamide
PubChem CID4957446
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-ethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(OCC)c1
InChIInChI=1S/C12H15NO2/c1-3-8-13-12(14)10-6-5-7-11(9-10)15-4-2/h3,5-7,9H,1,4,8H2,2H3,(H,13,14)
InChIKeyOGEKDPVKWRHWKT-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
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

3-ethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4957698
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-cyano-N-prop-2-enylbenzamide
CID 24701030
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-prop-2-enylbenzamide?
The IUPAC name of 3-ethoxy-N-prop-2-enylbenzamide (CID 4957446) is 3-ethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-ethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 3-ethoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(OCC)c1.
What is the InChIKey of 3-ethoxy-N-prop-2-enylbenzamide?
The InChIKey is OGEKDPVKWRHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-8-13-12(14)10-6-5-7-11(9-10)15-4-2/h3,5-7,9H,1,4,8H2,2H3,(H,13,14).
What are the key properties of 3-ethoxy-N-prop-2-enylbenzamide?
3-ethoxy-N-prop-2-enylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 4957446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).