N-(2-aminooxyethyl)-3-phenylpropanamide

C11H16N2O2 — CID 39242046

IUPACN-(2-aminooxyethyl)-3-phenylpropanamide
SMILESNOCCNC(=O)CCc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-15-9-8-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14)
InChIKeyWNEKCVYLWHJADG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds6

About N-(2-aminooxyethyl)-3-phenylpropanamide

N-(2-aminooxyethyl)-3-phenylpropanamide (PubChem CID 39242046) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-3-phenylpropanamide
PubChem CID39242046
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-aminooxyethyl)-3-phenylpropanamide
SMILESNOCCNC(=O)CCc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-15-9-8-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14)
InChIKeyWNEKCVYLWHJADG-UHFFFAOYSA-N
XLogP0.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
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CID 531986
N-Methyl-2-phenylacetamide
CID 81274
N-cyclohexyl-4-phenylbutanamide
CID 288831
Leucyl-phenylalanine amide
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N-(pentan-2-yl)-2-phenylacetamide
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CID 6992303
CID 6992303

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-3-phenylpropanamide?
The IUPAC name of N-(2-aminooxyethyl)-3-phenylpropanamide (CID 39242046) is N-(2-aminooxyethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-aminooxyethyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-aminooxyethyl)-3-phenylpropanamide is NOCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-aminooxyethyl)-3-phenylpropanamide?
The InChIKey is WNEKCVYLWHJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-15-9-8-13-11(14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14).
What are the key properties of N-(2-aminooxyethyl)-3-phenylpropanamide?
N-(2-aminooxyethyl)-3-phenylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 39242046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).