4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C14H19NO2 — CID 113340627

IUPAC4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-3-9-15(10-11-16)14(17)13-7-5-12(4-2)6-8-13/h3,5-8,16H,1,4,9-11H2,2H3
InChIKeyXICPJRYEKBIOML-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds6

About 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 113340627) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID113340627
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-3-9-15(10-11-16)14(17)13-7-5-12(4-2)6-8-13/h3,5-8,16H,1,4,9-11H2,2H3
InChIKeyXICPJRYEKBIOML-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
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

4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 113340627) is 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is XICPJRYEKBIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-9-15(10-11-16)14(17)13-7-5-12(4-2)6-8-13/h3,5-8,16H,1,4,9-11H2,2H3.
What are the key properties of 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 113340627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).