2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C19H18N2O3 — CID 110001117

IUPAC2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H18N2O3/c1-2-11-21(12-13-22)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)14-20/h2-10,22H,1,11-13H2
InChIKeyZSJFLILPVBKIMU-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 110001117) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID110001117
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H18N2O3/c1-2-11-21(12-13-22)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)14-20/h2-10,22H,1,11-13H2
InChIKeyZSJFLILPVBKIMU-UHFFFAOYSA-N
XLogP2.97
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 86783538
N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
CID 113340648
2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775828
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775553
2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
3-[(3-cyanophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424158
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 110001117) is 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccccc1Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is ZSJFLILPVBKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-11-21(12-13-22)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)14-20/h2-10,22H,1,11-13H2.
What are the key properties of 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 110001117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).