2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C12H15NO4 — CID 113368377

IUPAC2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c1-2-5-13(6-7-14)12(17)10-4-3-9(15)8-11(10)16/h2-4,8,14-16H,1,5-7H2
InChIKeyJNXIURXYCGMHMX-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.72
Rot. Bonds5

About 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 113368377) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID113368377
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c1-2-5-13(6-7-14)12(17)10-4-3-9(15)8-11(10)16/h2-4,8,14-16H,1,5-7H2
InChIKeyJNXIURXYCGMHMX-UHFFFAOYSA-N
XLogP0.72
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide
CID 90242663
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 113368377) is 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is JNXIURXYCGMHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-5-13(6-7-14)12(17)10-4-3-9(15)8-11(10)16/h2-4,8,14-16H,1,5-7H2.
What are the key properties of 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 237.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 113368377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).