2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide

C12H15NO4 — CID 163784591

IUPAC2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide
SMILESC=Cc1ccc(NC(=O)COCC(O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h2-6,12,15-16H,1,7-8H2,(H,13,14)
InChIKeyMRLCKQNWUMZVIJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds6

About 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide

2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide (PubChem CID 163784591) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide
PubChem CID163784591
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide
SMILESC=Cc1ccc(NC(=O)COCC(O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h2-6,12,15-16H,1,7-8H2,(H,13,14)
InChIKeyMRLCKQNWUMZVIJ-UHFFFAOYSA-N
XLogP0.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-ethenylphenyl)carbamic acid
CID 22352089
N-(4-ethenylphenyl)hexanamide
CID 132540479
2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
CID 143732888
N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 91710777
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(4-formylphenyl)but-3-enamide
CID 142510252

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide?
The IUPAC name of 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide (CID 163784591) is 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide.
What is the SMILES notation for 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide?
The canonical SMILES for 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide is C=Cc1ccc(NC(=O)COCC(O)O)cc1.
What is the InChIKey of 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide?
The InChIKey is MRLCKQNWUMZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h2-6,12,15-16H,1,7-8H2,(H,13,14).
What are the key properties of 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide?
2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide is sourced from PubChem (CID 163784591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).