2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide

C18H21N2O4- — CID 161248375

IUPAC2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide
SMILESC=C(C(N)=O)c1ccccc1.CC(O)(C(N)=O)c1ccccc1.[OH-]
InChIInChI=1S/C9H11NO2.C9H9NO.H2O/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-7(9(10)11)8-5-3-2-4-6-8;/h2-6,12H,1H3,(H2,10,11);2-6H,1H2,(H2,10,11);1H2/p-1
InChIKeyGROHFVJYYKEFSL-UHFFFAOYSA-M
MW329.38 g/mol
LogP1.39
Rot. Bonds4

About 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide

2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide (PubChem CID 161248375) has the molecular formula C18H21N2O4- and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide.

Molecular Properties

Compound Name2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide
PubChem CID161248375
Molecular FormulaC18H21N2O4-
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide
SMILESC=C(C(N)=O)c1ccccc1.CC(O)(C(N)=O)c1ccccc1.[OH-]
InChIInChI=1S/C9H11NO2.C9H9NO.H2O/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-7(9(10)11)8-5-3-2-4-6-8;/h2-6,12H,1H3,(H2,10,11);2-6H,1H2,(H2,10,11);1H2/p-1
InChIKeyGROHFVJYYKEFSL-UHFFFAOYSA-M
XLogP1.39
TPSA136.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
3-deuterio-2-phenylprop-2-enamide
CID 132851311
tert-butyl 2-phenylprop-2-enoate;carbamic acid
CID 174820480
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
4,4-difluoro-2-methylidene-4-phenylbutanamide
CID 166772619
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
ethane;2-phenylprop-2-enoic acid
CID 142472843
N-phenylprop-2-enamide;2-phenylprop-2-enamide
CID 159638703

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide?
The IUPAC name of 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide (CID 161248375) is 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide.
What is the SMILES notation for 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide?
The canonical SMILES for 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide is C=C(C(N)=O)c1ccccc1.CC(O)(C(N)=O)c1ccccc1.[OH-].
What is the InChIKey of 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide?
The InChIKey is GROHFVJYYKEFSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2.C9H9NO.H2O/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-7(9(10)11)8-5-3-2-4-6-8;/h2-6,12H,1H3,(H2,10,11);2-6H,1H2,(H2,10,11);1H2/p-1.
What are the key properties of 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide?
2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide has a molecular weight of 329.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide is sourced from PubChem (CID 161248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).