N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide

C13H17NO3 — CID 113340604

IUPACN-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-2-7-14(8-9-15)13(17)10-11-3-5-12(16)6-4-11/h2-6,15-16H,1,7-10H2
InChIKeyWPRUEHHDHICHBT-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.94
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide

N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide (PubChem CID 113340604) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
PubChem CID113340604
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-2-7-14(8-9-15)13(17)10-11-3-5-12(16)6-4-11/h2-6,15-16H,1,7-10H2
InChIKeyWPRUEHHDHICHBT-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
CID 115775556
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-methylacetamide
CID 60681963
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
2-(4-carbamothioylphenyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 63591239
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide (CID 113340604) is N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide?
The InChIKey is WPRUEHHDHICHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-7-14(8-9-15)13(17)10-11-3-5-12(16)6-4-11/h2-6,15-16H,1,7-10H2.
What are the key properties of N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide?
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide has a molecular weight of 235.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 113340604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).