N-ethoxy-3-hydroxy-2-phenylpropanamide

C11H15NO3 — CID 121218721

IUPACN-ethoxy-3-hydroxy-2-phenylpropanamide
SMILESCCONC(=O)C(CO)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-12-11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)
InChIKeyYJXMMTJZFPTVHE-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.83
Rot. Bonds5

About N-ethoxy-3-hydroxy-2-phenylpropanamide

N-ethoxy-3-hydroxy-2-phenylpropanamide (PubChem CID 121218721) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-ethoxy-3-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound NameN-ethoxy-3-hydroxy-2-phenylpropanamide
PubChem CID121218721
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN-ethoxy-3-hydroxy-2-phenylpropanamide
SMILESCCONC(=O)C(CO)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-12-11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)
InChIKeyYJXMMTJZFPTVHE-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
(2R)-2-amino-N-ethoxy-2-phenylacetamide
CID 64974581
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
ethyl (2-phenylbutanoylamino) carbonate
CID 177376021
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 2-phenylbutanoate;sulfane
CID 174662373
N-methylmethanamine;octan-4-yl 3-hydroxy-2-phenylpropanoate
CID 155594508
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-hydroxy-2-phenylpropanamide?
The IUPAC name of N-ethoxy-3-hydroxy-2-phenylpropanamide (CID 121218721) is N-ethoxy-3-hydroxy-2-phenylpropanamide.
What is the SMILES notation for N-ethoxy-3-hydroxy-2-phenylpropanamide?
The canonical SMILES for N-ethoxy-3-hydroxy-2-phenylpropanamide is CCONC(=O)C(CO)c1ccccc1.
What is the InChIKey of N-ethoxy-3-hydroxy-2-phenylpropanamide?
The InChIKey is YJXMMTJZFPTVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-12-11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14).
What are the key properties of N-ethoxy-3-hydroxy-2-phenylpropanamide?
N-ethoxy-3-hydroxy-2-phenylpropanamide has a molecular weight of 209.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 121218721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).